A0A077ZD80_TRITR Loading...

Ubiquinone biosynthesis protein COQ7 homolog

AlphaFold DB , UniProt , Accession A0A077ZD80, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 171 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M56.8Low71.5Confident68 Ų6816.7 Ų16.734%0.3359%0.086SC..  098.10-172.9168161.600112.6Q106 E109 L110 L121 L125M1-Q106 HydrophobicContact CG-CG 4.11Å; M1-Q106 HydrophobicContact SD-CB 4.41Å; M1-Q106 HydrophobicContact SD-CG 4.32Å; M1-E109 VanDerWaalsContact N-CD 3.34Å; M1-E109 PolarHBondContact N-OE1 3.38Å; M1-E109 PolarHBondContact N-OE2 2.9Å; M1-L110 HydrophobicContact SD-CD1 4.22Å; M1-L121 HydrophobicContact CE-CD1 4.26Å; M1-L121 HydrophobicContact CE-CD2 4.38Å; M1-L121 HydrophobicContact SD-CD2 3.95Å; M1-L125 HydrophobicContact CE-CD1 4.39Å; M1-L125 HydrophobicContact CE-CD2 4.27Å; M1-L125 HydrophobicContact SD-CD1 4.26Å
2N63Low72.2Confident53 Ų5315.7 Ų15.728%0.2838%0.081SC..  trans-92.1112.7167.1-173.4-2.1000107.6V4N2-V4 PolarHBondContact O-N 3Å; N2-V4 WeakPolarHBondContact OD1-CB 3.47Å; N2-V4 VanDerWaalsContact OD1-CG2 3.26Å; N2-V4 WeakPolarHBondContact OD1-CG2 3.2Å; N2-V4 PolarHBondContact OD1-N 2.87Å
3P62.9Low72.9Confident4 Ų414.5 Ų14.53%0.0268%0.075CC..THydrogen-bonded Turntrans-53-44.5179.821.4-33.7000110.2D5 V6 F51 I55 I60P3-D5 PolarHBondContact O-N 3.34Å; P3-V6 PolarHBondContact O-N 2.95Å; P3-F51 HydrophobicContact CB-CD2 4.09Å; P3-F51 HydrophobicContact CB-CE1 4.17Å; P3-F51 HydrophobicContact CB-CE2 3.18Å; P3-F51 HydrophobicContact CB-CZ 3.26Å; P3-F51 WeakPolarHBondContact O-CE2 2.94Å; P3-F51 WeakPolarHBondContact O-CZ 3.47Å; P3-I55 HydrophobicContact CB-CD1 4.09Å; P3-I55 HydrophobicContact CB-CG1 3.67Å; P3-I55 HydrophobicContact CG-CD1 4.26Å; P3-I55 HydrophobicContact CG-CG1 3.66Å; P3-I60 HydrophobicContact CG-CB 3.9Å; P3-I60 HydrophobicContact CG-CD1 3.53Å; P3-I60 HydrophobicContact CG-CG1 4.27Å; P3-I60 HydrophobicContact CG-CG2 3.45Å; P3-I60 VanDerWaalsContact CG-CG2 3.45Å
4V62.8Low73.4Confident1 Ų116.6 Ų16.61%0.0068%0.082CC..Hα-helixtrans-45.9-31.8-168.7178.40000115.1N2 V6 E7 P62 T63N2-V4 PolarHBondContact O-N 3Å; N2-V4 WeakPolarHBondContact OD1-CB 3.47Å; N2-V4 VanDerWaalsContact OD1-CG2 3.26Å; N2-V4 WeakPolarHBondContact OD1-CG2 3.2Å; N2-V4 PolarHBondContact OD1-N 2.87Å; V4-V6 VanDerWaalsContact C-N 3.26Å; V4-V6 PolarHBondContact O-N 3.14Å; V4-E7 PolarHBondContact O-N 2.9Å; V4-P62 HydrophobicContact CG2-CB 4.37Å; V4-T63 HydrophobicContact CG1-CG2 3.3Å
5D70.8Confident73.6Confident7 Ų716.3 Ų16.34%0.0378%0.081CC..Hα-helixtrans-61.3-35-178.7-52.5-24.8000112.5P3 H102 I165P3-D5 PolarHBondContact O-N 3.34Å; D5-H102 WeakPolarHBondContact CB-CE1 3.35Å; D5-H102 IonicContact OD2-CE1 2.68Å; D5-H102 PolarHBondContact OD2-CE1 3.46Å; D5-I165 HydrophobicContact CB-CD1 4.36Å; D5-I165 HydrophobicContact CB-CG1 4.09Å; D5-I165 HydrophobicContact CB-CG2 3.77Å; D5-I165 WeakPolarHBondContact O-CG1 3.45Å
6V73.1Confident73.7Confident2 Ų216.3 Ų16.31%0.0128%0.082CC..Hα-helixtrans-81.4-35-178.9-165.50000111.1P3 V4 I8 C9 L10 F51 I99 H102 Y103P3-V6 PolarHBondContact O-N 2.95Å; V4-V6 VanDerWaalsContact C-N 3.26Å; V4-V6 PolarHBondContact O-N 3.14Å; V6-I8 VanDerWaalsContact C-N 3.29Å; V6-I8 PolarHBondContact O-N 3.28Å; V6-C9 PolarHBondContact O-N 3.05Å; V6-C9 VanDerWaalsContact O-N 3.08Å; V6-L10 HydrophobicContact CB-CD1 4.35Å; V6-L10 HydrophobicContact CG1-CD1 3.53Å; V6-L10 HydrophobicContact CG1-CG 3.81Å; V6-L10 WeakPolarHBondContact O-CB 3.33Å; V6-L10 WeakPolarHBondContact O-CG 3.4Å; V6-L10 PolarHBondContact O-N 3.42Å; V6-F51 HydrophobicContact CB-CD2 4.45Å; V6-F51 HydrophobicContact CB-CE2 3.91Å; V6-F51 HydrophobicContact CB-CZ 4.48Å; V6-F51 HydrophobicContact CG2-CE2 4.38Å; V6-I99 HydrophobicContact CG1-CG2 4.19Å; V6-H102 WeakPolarHBondContact CG2-CD2 3.49Å; V6-H102 WeakPolarHBondContact CG2-NE2 3.4Å; V6-Y103 HydrophobicContact CG1-CE1 3.74Å; V6-Y103 HydrophobicContact CG2-CE1 4.37Å
7E77.4Confident73.6Confident16 Ų1615.7 Ų15.78%0.0758%0.079CC..Hα-helixtrans-59.5-40.3-176.7-154-178.315700112.3V4 C9 N11 L48 F51 L66V4-E7 PolarHBondContact O-N 2.9Å; E7-C9 VanDerWaalsContact C-N 3.25Å; E7-C9 PolarHBondContact O-N 3.15Å; E7-N11 WeakPolarHBondContact O-CB 3.41Å; E7-N11 PolarHBondContact O-N 3.5Å; E7-N11 PolarHBondContact O-ND2 3Å; E7-L48 HydrophobicContact CG-CD1 4.4Å; E7-F51 HydrophobicContact CB-CD1 4.41Å; E7-F51 HydrophobicContact CB-CE1 3.49Å; E7-F51 VanDerWaalsContact CB-CE1 3.49Å; E7-F51 HydrophobicContact CB-CZ 3.77Å; E7-F51 HydrophobicContact CG-CD1 4.24Å; E7-F51 HydrophobicContact CG-CE1 3.63Å; E7-F51 HydrophobicContact CG-CZ 4.41Å; E7-L66 HydrophobicContact CB-CD1 4.28Å; E7-L66 VanDerWaalsContact CD-CD1 3.41Å; E7-L66 HydrophobicContact CG-CD1 4Å; E7-L66 WeakPolarHBondContact OE1-CD1 3.46Å; E7-L66 WeakPolarHBondContact OE1-CD2 3.44Å
8I77.3Confident73.3Confident7 Ų714.8 Ų14.84%0.0368%0.075CC..Hα-helixtrans-58.9-42.1178.5-64.8171.7000110.5V6 V12 W69 A164 S168V6-I8 VanDerWaalsContact C-N 3.29Å; V6-I8 PolarHBondContact O-N 3.28Å; I8-V12 WeakPolarHBondContact O-CG2 3.48Å; I8-W69 HydrophobicContact CB-CB 4.39Å; I8-W69 HydrophobicContact CD1-CB 4.31Å; I8-W69 HydrophobicContact CD1-CD2 4.37Å; I8-W69 HydrophobicContact CD1-CG 3.79Å; I8-W69 HydrophobicContact CG1-CB 3.8Å; I8-W69 HydrophobicContact CG1-CG 3.84Å; I8-W69 HydrophobicContact CG2-CB 4.03Å; I8-W69 HydrophobicContact CG2-CG 4.31Å; I8-A164 HydrophobicContact CD1-CB 4.28Å; I8-A164 HydrophobicContact CG2-CB 4.02Å; I8-S168 WeakPolarHBondContact CD1-OG 3.38Å
9C80.1Confident72.6Confident1 Ų116.8 Ų16.81%0.0079%0.089CC..Hα-helixtrans-81.6-41.2-175.6-55.80000111.2V6 E7 N11 V12 S13 V95 L98 I99V6-C9 PolarHBondContact O-N 3.05Å; V6-C9 VanDerWaalsContact O-N 3.08Å; E7-C9 VanDerWaalsContact C-N 3.25Å; E7-C9 PolarHBondContact O-N 3.15Å; C9-N11 VanDerWaalsContact C-N 3.25Å; C9-N11 PolarHBondContact O-N 3.04Å; C9-V12 WeakPolarHBondContact O-CB 3.47Å; C9-V12 PolarHBondContact O-N 3.21Å; C9-S13 PolarHBondContact O-N 3.03Å; C9-V95 HydrophobicContact CB-CG1 4.37Å; C9-V95 WeakPolarHBondContact O-CG1 3.3Å; C9-L98 HydrophobicContact CB-CD2 4.24Å; C9-L98 WeakPolarHBondContact SG-CD2 3.27Å; C9-I99 HydrophobicContact CB-CD1 3.82Å; C9-I99 HydrophobicContact CB-CG1 3.42Å; C9-I99 VanDerWaalsContact CB-CG1 3.42Å
10L81.6Confident72.1Confident2 Ų222.6 Ų22.61%0.0112%0.115CC..Hα-helixtrans-58.7-36.4174.1-77.7170.2000111.9V6 V12 S13 Y14 H47 I99V6-L10 HydrophobicContact CB-CD1 4.35Å; V6-L10 HydrophobicContact CG1-CD1 3.53Å; V6-L10 HydrophobicContact CG1-CG 3.81Å; V6-L10 WeakPolarHBondContact O-CB 3.33Å; V6-L10 WeakPolarHBondContact O-CG 3.4Å; V6-L10 PolarHBondContact O-N 3.42Å; L10-V12 VanDerWaalsContact C-N 3.32Å; L10-V12 PolarHBondContact O-N 3Å; L10-S13 PolarHBondContact O-N 3.34Å; L10-Y14 WeakPolarHBondContact O-CB 3.3Å; L10-Y14 PolarHBondContact O-N 3.08Å; L10-H47 HydrophobicContact CD1-CB 4.36Å; L10-H47 HydrophobicContact CD2-CB 3.81Å; L10-I99 HydrophobicContact CD2-CD1 4.28Å
11N80.9Confident71.5Confident23 Ų2326.3 Ų26.312%0.12313%0.131CC..Hα-helixtrans-65.1-35.2175.1-84.3-61000112.8E7 C9 V15 N70E7-N11 WeakPolarHBondContact O-CB 3.41Å; E7-N11 PolarHBondContact O-N 3.5Å; E7-N11 PolarHBondContact O-ND2 3Å; C9-N11 VanDerWaalsContact C-N 3.25Å; C9-N11 PolarHBondContact O-N 3.04Å; N11-V15 WeakPolarHBondContact O-CB 3.31Å; N11-V15 WeakPolarHBondContact O-CG2 3.27Å; N11-V15 PolarHBondContact O-N 3.44Å; N11-V15 VanDerWaalsContact O-N 3.16Å; N11-N70 PolarHBondContact ND2-OD1 2.89Å
12V80Confident71.5Confident4 Ų423.6 Ų23.62%0.02412%0.117CC..Hα-helixtrans-67-49.7174.9-175.10000109.7I8 C9 L10 V15 L16 L76 V95I8-V12 WeakPolarHBondContact O-CG2 3.48Å; C9-V12 WeakPolarHBondContact O-CB 3.47Å; C9-V12 PolarHBondContact O-N 3.21Å; L10-V12 VanDerWaalsContact C-N 3.32Å; L10-V12 PolarHBondContact O-N 3Å; V12-V15 PolarHBondContact O-N 2.85Å; V12-L16 HydrophobicContact CG1-CD1 4.06Å; V12-L16 WeakPolarHBondContact O-CG 3.29Å; V12-L16 PolarHBondContact O-N 2.7Å; V12-L76 HydrophobicContact CG1-CD2 3.87Å; V12-L76 HydrophobicContact CG1-CG 4.37Å; V12-L76 HydrophobicContact CG2-CD2 4.47Å; V12-V95 HydrophobicContact CB-CG1 4.3Å; V12-V95 HydrophobicContact CB-CG2 4.12Å; V12-V95 HydrophobicContact CG1-CG2 3.66Å
13S81.7Confident70.9Confident0 Ų023.4 Ų23.40%012%0.123CC..Hα-helixtrans-55.7-52.3178.3176.70000111.1C9 L10 V15 L16 T17 E44 E96C9-S13 PolarHBondContact O-N 3.03Å; L10-S13 PolarHBondContact O-N 3.34Å; S13-V15 VanDerWaalsContact C-N 3.28Å; S13-V15 PolarHBondContact O-N 3.23Å; S13-L16 WeakPolarHBondContact O-CA 3.38Å; S13-L16 WeakPolarHBondContact O-CB 3.25Å; S13-L16 PolarHBondContact O-N 3.19Å; S13-T17 PolarHBondContact O-N 3.04Å; S13-E44 VanDerWaalsContact O-OE2 3.08Å; S13-E44 PolarHBondContact OG-OE1 2.91Å; S13-E96 VanDerWaalsContact CB-OE1 3.23Å; S13-E96 WeakPolarHBondContact CB-OE1 3.27Å; S13-E96 PolarHBondContact OG-OE1 3.06Å
14Y79.5Confident70.4Confident45 Ų4530 Ų3018%0.17617%0.166CC..Hα-helixtrans-56.9-35.8176-173.7-101.8000114.3L10 T17 T18 K21 E44 A45L10-Y14 WeakPolarHBondContact O-CB 3.3Å; L10-Y14 PolarHBondContact O-N 3.08Å; Y14-T17 PolarHBondContact O-OG1 2.75Å; Y14-T18 HydrophobicContact CD2-CG2 4.45Å; Y14-T18 HydrophobicContact CE1-CG2 4.28Å; Y14-T18 HydrophobicContact CE2-CG2 4.06Å; Y14-T18 WeakPolarHBondContact O-CB 3.44Å; Y14-T18 VanDerWaalsContact O-CG2 3.32Å; Y14-T18 WeakPolarHBondContact O-CG2 3.41Å; Y14-T18 PolarHBondContact O-N 3Å; Y14-T18 PolarHBondContact O-OG1 3.23Å; Y14-K21 HydrophobicContact CE1-CD 4.33Å; Y14-E44 WeakPolarHBondContact CA-OE2 3.21Å; Y14-E44 HydrophobicContact CD2-CB 4.14Å; Y14-E44 PolarHBondContact N-OE2 3.48Å; Y14-E44 VanDerWaalsContact N-OE2 3.12Å; Y14-A45 HydrophobicContact CE2-CB 4.11Å
15V75.5Confident69.7Low11 Ų1136 Ų367%0.06720%0.203CC..Hα-helixtrans-71.8-37.8174.9168.80000111.4N11 V12 S13 T17 T18 L22 F74N11-V15 WeakPolarHBondContact O-CB 3.31Å; N11-V15 WeakPolarHBondContact O-CG2 3.27Å; N11-V15 PolarHBondContact O-N 3.44Å; N11-V15 VanDerWaalsContact O-N 3.16Å; V12-V15 PolarHBondContact O-N 2.85Å; S13-V15 VanDerWaalsContact C-N 3.28Å; S13-V15 PolarHBondContact O-N 3.23Å; V15-T17 VanDerWaalsContact C-N 3.34Å; V15-T17 PolarHBondContact O-N 2.91Å; V15-T18 PolarHBondContact O-N 3.44Å; V15-L22 HydrophobicContact CG1-CD2 3.36Å; V15-L22 HydrophobicContact CG1-CG 4.23Å; V15-F74 HydrophobicContact CG1-CD2 3.97Å; V15-F74 HydrophobicContact CG1-CE2 4.49Å; V15-F74 HydrophobicContact CG2-CB 4.35Å; V15-F74 HydrophobicContact CG2-CD2 3.88Å
16L75.1Confident68.8Low17 Ų1737.7 Ų37.79%0.08921%0.211CC..Hα-helixtrans-68.9-29.5179-70.1168.4000112.8V12 S13 C91V12-L16 HydrophobicContact CG1-CD1 4.06Å; V12-L16 WeakPolarHBondContact O-CG 3.29Å; V12-L16 PolarHBondContact O-N 2.7Å; S13-L16 WeakPolarHBondContact O-CA 3.38Å; S13-L16 WeakPolarHBondContact O-CB 3.25Å; S13-L16 PolarHBondContact O-N 3.19Å; L16-C91 HydrophobicContact CD1-CB 3.92Å; L16-C91 HydrophobicContact CD2-CB 4.34Å
17T72Confident67.6Low6 Ų643.3 Ų43.34%0.03725%0.251CS..THydrogen-bonded Turntrans-91-4.1175.365.80000114.8S13 Y14 V15 P19 M40 E44S13-T17 PolarHBondContact O-N 3.04Å; Y14-T17 PolarHBondContact O-OG1 2.75Å; V15-T17 VanDerWaalsContact C-N 3.34Å; V15-T17 PolarHBondContact O-N 2.91Å; T17-P19 WeakPolarHBondContact O-CD 3.39Å; T17-M40 HydrophobicContact CG2-CB 3.96Å; T17-E44 VanDerWaalsContact CB-OE2 3.3Å; T17-E44 WeakPolarHBondContact CB-OE2 3.45Å; T17-E44 WeakPolarHBondContact CG2-OE1 3.31Å; T17-E44 WeakPolarHBondContact CG2-OE2 3.39Å; T17-E44 PolarHBondContact OG1-OE2 3.45Å
18T69.5Low66.3Low0 Ų044.8 Ų44.80%026%0.258CS..  trans-113.671.4175.558.10000111.3Y14 V15 E20 K21 K41Y14-T18 HydrophobicContact CD2-CG2 4.45Å; Y14-T18 HydrophobicContact CE1-CG2 4.28Å; Y14-T18 HydrophobicContact CE2-CG2 4.06Å; Y14-T18 WeakPolarHBondContact O-CB 3.44Å; Y14-T18 VanDerWaalsContact O-CG2 3.32Å; Y14-T18 WeakPolarHBondContact O-CG2 3.41Å; Y14-T18 PolarHBondContact O-N 3Å; Y14-T18 PolarHBondContact O-OG1 3.23Å; V15-T18 PolarHBondContact O-N 3.44Å; T18-E20 PolarHBondContact O-N 3.24Å; T18-K21 WeakPolarHBondContact O-CB 3.48Å; T18-K21 PolarHBondContact O-N 3.46Å; T18-K41 HydrophobicContact CG2-CD 3.85Å; T18-K41 HydrophobicContact CG2-CG 3.83Å
19P59.8Low64.6Low52 Ų5248.4 Ų48.434%0.33828%0.282SS..G310 helixtrans-60.6-24-176.924.8-33.9000113.2T17 K21 L22 E37T17-P19 WeakPolarHBondContact O-CD 3.39Å; P19-K21 PolarHBondContact O-N 3.4Å; P19-L22 WeakPolarHBondContact O-CB 3.35Å; P19-L22 PolarHBondContact O-N 3.37Å; P19-L22 VanDerWaalsContact O-N 3.07Å; P19-E37 WeakPolarHBondContact CD-OE1 3.35Å; P19-E37 WeakPolarHBondContact CG-OE1 3.34Å
20E62.9Low63.2Low133 Ų13352.3 Ų52.362%0.62132%0.315SS*.G310 helixtrans-59.8-29.5170.867.3-159.7-157.900113.8T18 K41T18-E20 PolarHBondContact O-N 3.24Å; E20-K41 IonicContact OE1-NZ 3.22Å; E20-K41 PolarHBondContact OE1-NZ 3.25Å; E20-K41 IonicContact OE2-NZ 2.85Å; E20-K41 PolarHBondContact OE2-NZ 2.95Å
21K58.6Low61.4Low101 Ų10158.7 Ų58.744%0.43935%0.349SS..G310 helixtrans-80.8-19.9174.7-64.1-163.7-176-158.50112.7Y14 T18 P19 A23 F74Y14-K21 HydrophobicContact CE1-CD 4.33Å; T18-K21 WeakPolarHBondContact O-CB 3.48Å; T18-K21 PolarHBondContact O-N 3.46Å; P19-K21 PolarHBondContact O-N 3.4Å; K21-A23 PolarHBondContact O-N 2.98Å; K21-A23 VanDerWaalsContact O-N 3.16Å; K21-F74 HydrophobicContact CB-CE2 4.43Å; K21-F74 WeakPolarHBondContact O-CE2 3.36Å; K21-F74 WeakPolarHBondContact O-CZ 3.43Å
22L56.5Low59.8Low10 Ų1058.8 Ų58.85%0.05235%0.351CS..G310 helixtrans-76.75.9-179.9-65.5176.9000114V15 P19 V78 A81V15-L22 HydrophobicContact CG1-CD2 3.36Å; V15-L22 HydrophobicContact CG1-CG 4.23Å; P19-L22 WeakPolarHBondContact O-CB 3.35Å; P19-L22 PolarHBondContact O-N 3.37Å; P19-L22 VanDerWaalsContact O-N 3.07Å; L22-V78 HydrophobicContact CD2-CB 4.25Å; L22-V78 HydrophobicContact CD2-CG2 3.5Å; L22-A81 HydrophobicContact CD1-CB 3.74Å
23A51Low58.6Low50 Ų5060.1 Ų60.141%0.41336%0.358SS..  trans70145.8176.100000113.9K21 T25K21-A23 PolarHBondContact O-N 2.98Å; K21-A23 VanDerWaalsContact O-N 3.16Å; A23-T25 PolarHBondContact O-N 3.47Å
24P52Low57.3Low141 Ų14162.7 Ų62.792%0.91638%0.376SS*.THydrogen-bonded Turntrans-62.810-169.124.7-36.6000116.7
25T49Very low56.2Low128 Ų12868.1 Ų68.179%0.78541%0.407SS*.THydrogen-bonded Turntrans-95.2-13.8-170.3-38.50000112.9A23A23-T25 PolarHBondContact O-N 3.47Å
26I51.9Low55.7Low43 Ų4370.5 Ų70.522%0.22142%0.418CS..  trans-106.7104.2-179.3-53.7170000108.1I28 A81I26-I28 HydrophobicContact CG2-CD1 4.16Å; I26-I28 HydrophobicContact CG2-CG1 3.65Å; I26-I28 PolarHBondContact O-N 3.29Å; I26-A81 HydrophobicContact CD1-CB 3.72Å; I26-A81 HydrophobicContact CG2-CB 4.39Å; I26-A81 WeakPolarHBondContact CG2-O 3.31Å
27S48Very low55.3Low119 Ų11971.8 Ų71.883%0.83242%0.423SS*.  trans-75.566.517774.10000111P29S27-P29 VanDerWaalsContact O-CD 3.26Å; S27-P29 WeakPolarHBondContact O-CD 3.5Å
28I49.2Very low55.4Low47 Ų4775.2 Ų75.224%0.24145%0.446CS..  trans-75.2113.7162.1-52.5-171.9000105.5I26 A30 C32 A81I26-I28 HydrophobicContact CG2-CD1 4.16Å; I26-I28 HydrophobicContact CG2-CG1 3.65Å; I26-I28 PolarHBondContact O-N 3.29Å; I28-A30 PolarHBondContact O-N 2.97Å; I28-C32 HydrophobicContact CG2-CB 4.22Å; I28-A81 HydrophobicContact CD1-CB 4.12Å
29P42.5Very low56Low83 Ų8380.1 Ų80.154%0.53946%0.464SS..  trans-62127.9-177.712-12.5000109.1S27 N31 C32S27-P29 VanDerWaalsContact O-CD 3.26Å; S27-P29 WeakPolarHBondContact O-CD 3.5Å; P29-N31 PolarHBondContact O-N 3.42Å; P29-C32 VanDerWaalsContact O-CB 3.27Å; P29-C32 WeakPolarHBondContact O-CB 3.3Å; P29-C32 PolarHBondContact O-N 2.87Å
30A49.3Very low56.9Low83 Ų8377.9 Ų77.969%0.68645%0.449SS*.G310 helixtrans-50-25.7-174.800000114I28 C32 S34I28-A30 PolarHBondContact O-N 2.97Å; A30-C32 PolarHBondContact O-N 3.13Å; A30-S34 VanDerWaalsContact O-CB 3.32Å; A30-S34 WeakPolarHBondContact O-CB 3.21Å
31N45.4Very low57.7Low137 Ų13773.9 Ų73.973%0.73343%0.43SS*.G310 helixtrans-72.2-7.5177.2-162.128.3000114.4P29P29-N31 PolarHBondContact O-N 3.42Å
32C46.6Very low59Low25 Ų2573.5 Ų73.517%0.16944%0.436CS..G310 helixtrans-81.3-14.3-174.9-800000115I28 P29 A30 R85I28-C32 HydrophobicContact CG2-CB 4.22Å; P29-C32 VanDerWaalsContact O-CB 3.27Å; P29-C32 WeakPolarHBondContact O-CB 3.3Å; P29-C32 PolarHBondContact O-N 2.87Å; A30-C32 PolarHBondContact O-N 3.13Å; C32-R85 VanDerWaalsContact CA-NH1 3.33Å; C32-R85 PolarHBondContact O-NE 3.45Å; C32-R85 PolarHBondContact O-NH1 3.41Å; C32-R85 PolarHBondContact O-NH2 2.94Å; C32-R85 PolarHBondContact SG-NH1 2.82Å
33L54.1Low60.4Low32 Ų3273.6 Ų73.617%0.16844%0.436CS..SBendtrans-140.310.5178.9-92.3117.9000112.9L35 E36 E37 M40 M89L33-L35 PolarHBondContact O-N 3.43Å; L33-L35 VanDerWaalsContact O-N 3.09Å; L33-E36 PolarHBondContact O-N 3.05Å; L33-E37 HydrophobicContact CB-CB 4.22Å; L33-E37 VanDerWaalsContact O-CB 3.28Å; L33-E37 WeakPolarHBondContact O-CB 3.5Å; L33-E37 PolarHBondContact O-N 3.38Å; L33-M40 HydrophobicContact CD2-CE 3.87Å; L33-M89 HydrophobicContact CD1-CE 3.65Å; L33-M89 HydrophobicContact CD1-SD 4.24Å; L33-M89 HydrophobicContact CD2-CE 3.74Å; L33-M89 HydrophobicContact CD2-SD 4.06Å; L33-M89 HydrophobicContact CG-CE 4.19Å; L33-M89 HydrophobicContact CG-SD 4.39Å
34S54Low61.9Low54 Ų5471.3 Ų71.338%0.37842%0.417SS..THydrogen-bonded Turntrans-66.6-19.9-154.359.20000117.9A30A30-S34 VanDerWaalsContact O-CB 3.32Å; A30-S34 WeakPolarHBondContact O-CB 3.21Å
35L57.4Low63.5Low158 Ų15866.5 Ų66.583%0.82739%0.389SS*.THydrogen-bonded Turntrans-94.2-27.6-179.4-62.6-176.9000112.8L33L33-L35 PolarHBondContact O-N 3.43Å; L33-L35 VanDerWaalsContact O-N 3.09Å
36E64.6Low65.3Low62 Ų6265.9 Ų65.929%0.2937%0.372SS..THydrogen-bonded Turntrans-104.9-25.2-173.6-61.6-173.2116.400112.4L33 R39 M40 C138L33-E36 PolarHBondContact O-N 3.05Å; E36-R39 WeakPolarHBondContact O-CA 3.48Å; E36-R39 WeakPolarHBondContact O-CB 3.5Å; E36-R39 PolarHBondContact O-N 3.16Å; E36-R39 IonicContact OE1-NH2 3.49Å; E36-M40 HydrophobicContact CB-CE 4.33Å; E36-M40 PolarHBondContact O-N 3.07Å; E36-C138 PolarHBondContact OE2-SG 3.4Å; E36-C138 VanDerWaalsContact OE2-SG 3.33Å
37E66.9Low66.9Low44 Ų4463.8 Ų63.821%0.20636%0.362CS..Hα-helixtrans-52.4-47.3179.1-173.1-170.3149.300113.8P19 L33 R39 M40 K41P19-E37 WeakPolarHBondContact CD-OE1 3.35Å; P19-E37 WeakPolarHBondContact CG-OE1 3.34Å; L33-E37 HydrophobicContact CB-CB 4.22Å; L33-E37 VanDerWaalsContact O-CB 3.28Å; L33-E37 WeakPolarHBondContact O-CB 3.5Å; L33-E37 PolarHBondContact O-N 3.38Å; E37-R39 PolarHBondContact O-N 2.65Å; E37-M40 PolarHBondContact O-N 3.41Å; E37-K41 WeakPolarHBondContact O-CB 3.43Å; E37-K41 PolarHBondContact O-N 3.47Å
38P75Confident68.6Low78 Ų7859.3 Ų59.351%0.50633%0.329SS..Hα-helixtrans-63.9-31.6180-19.733.1000112.3T42P38-T42 WeakPolarHBondContact O-CB 3.28Å; P38-T42 PolarHBondContact O-N 2.87Å; P38-T42 PolarHBondContact O-OG1 2.64Å
39R80.5Confident70.3Confident102 Ų10259.9 Ų59.939%0.38534%0.336SS..Hα-helixtrans-73.5-52.7179.9-169.4178.872.2114.8-3.7110.3E36 E37 K41 T42 Q43 E134E36-R39 WeakPolarHBondContact O-CA 3.48Å; E36-R39 WeakPolarHBondContact O-CB 3.5Å; E36-R39 PolarHBondContact O-N 3.16Å; E36-R39 IonicContact OE1-NH2 3.49Å; E37-R39 PolarHBondContact O-N 2.65Å; R39-K41 PolarHBondContact O-N 3.02Å; R39-T42 WeakPolarHBondContact O-CB 3.2Å; R39-T42 PolarHBondContact O-N 3.15Å; R39-Q43 WeakPolarHBondContact O-CG 3.27Å; R39-Q43 PolarHBondContact O-N 2.8Å; R39-Q43 PolarHBondContact O-OE1 3.28Å; R39-E134 IonicContact CZ-OE2 3.86Å; R39-E134 IonicContact NH1-OE2 2.65Å; R39-E134 PolarHBondContact NH1-OE2 2.95Å; R39-E134 IonicContact NH2-OE2 2.79Å; R39-E134 PolarHBondContact NH2-OE2 2.89Å; R39-E134 VanDerWaalsContact NH2-OE2 3.15Å
40M79.2Confident72.4Confident5 Ų559.8 Ų59.83%0.02533%0.328CS..Hα-helixtrans-59.2-46.7178.4-63.4-160.2-8000111.4T17 L33 E36 E37 T42 Q43 E44 H135 C138T17-M40 HydrophobicContact CG2-CB 3.96Å; L33-M40 HydrophobicContact CD2-CE 3.87Å; E36-M40 HydrophobicContact CB-CE 4.33Å; E36-M40 PolarHBondContact O-N 3.07Å; E37-M40 PolarHBondContact O-N 3.41Å; M40-T42 VanDerWaalsContact C-N 3.25Å; M40-T42 PolarHBondContact O-N 3.33Å; M40-Q43 WeakPolarHBondContact O-CB 3.43Å; M40-Q43 PolarHBondContact O-N 3.22Å; M40-E44 PolarHBondContact O-N 2.99Å; M40-H135 WeakPolarHBondContact CG-CD2 3.48Å; M40-H135 HydrophobicContact SD-CB 4.13Å; M40-H135 VanDerWaalsContact SD-CD2 3.53Å; M40-C138 WeakPolarHBondContact CE-SG 3.22Å; M40-C138 HydrophobicContact SD-CB 4.25Å
41K81Confident73.9Confident50 Ų5056.2 Ų56.222%0.21730%0.297CS..Hα-helixtrans-56.3-39174.9179.5177.7179.5177.10112.9T18 E20 E37 R39 A45T18-K41 HydrophobicContact CG2-CD 3.85Å; T18-K41 HydrophobicContact CG2-CG 3.83Å; E20-K41 IonicContact OE1-NZ 3.22Å; E20-K41 PolarHBondContact OE1-NZ 3.25Å; E20-K41 IonicContact OE2-NZ 2.85Å; E20-K41 PolarHBondContact OE2-NZ 2.95Å; E37-K41 WeakPolarHBondContact O-CB 3.43Å; E37-K41 PolarHBondContact O-N 3.47Å; R39-K41 PolarHBondContact O-N 3.02Å; K41-A45 WeakPolarHBondContact O-CB 3.18Å; K41-A45 PolarHBondContact O-N 3.12Å
42T85.2Confident75.6Confident93 Ų9354 Ų5457%0.57128%0.282SS*.Hα-helixtrans-72.8-37.7177.9-580000111.3P38 R39 M40 R46P38-T42 WeakPolarHBondContact O-CB 3.28Å; P38-T42 PolarHBondContact O-N 2.87Å; P38-T42 PolarHBondContact O-OG1 2.64Å; R39-T42 WeakPolarHBondContact O-CB 3.2Å; R39-T42 PolarHBondContact O-N 3.15Å; M40-T42 VanDerWaalsContact C-N 3.25Å; M40-T42 PolarHBondContact O-N 3.33Å; T42-R46 VanDerWaalsContact O-CB 3.31Å; T42-R46 WeakPolarHBondContact O-CB 3.46Å; T42-R46 PolarHBondContact O-N 2.77Å
43Q85.2Confident77.4Confident12 Ų1257.3 Ų57.36%0.05630%0.298CS..Hα-helixtrans-63.6-50.5174.9-75.5164.7-62.900110.7R39 M40 A45 R46 H47 D131 H135R39-Q43 WeakPolarHBondContact O-CG 3.27Å; R39-Q43 PolarHBondContact O-N 2.8Å; R39-Q43 PolarHBondContact O-OE1 3.28Å; M40-Q43 WeakPolarHBondContact O-CB 3.43Å; M40-Q43 PolarHBondContact O-N 3.22Å; Q43-A45 PolarHBondContact O-N 2.97Å; Q43-R46 CarbonylContact O-C 3.54Å; Q43-R46 WeakPolarHBondContact O-CA 2.92Å; Q43-R46 VanDerWaalsContact O-CB 3.3Å; Q43-R46 WeakPolarHBondContact O-CB 2.83Å; Q43-R46 PolarHBondContact O-N 3.29Å; Q43-R46 VanDerWaalsContact O-N 3.07Å; Q43-H47 PolarHBondContact O-CD2 3.4Å; Q43-H47 PolarHBondContact O-N 2.92Å; Q43-D131 PolarHBondContact NE2-OD1 2.98Å; Q43-H135 PolarHBondContact OE1-NE2 3.45Å; Q43-H135 VanDerWaalsContact OE1-NE2 3.15Å
44E82.8Confident78.7Confident1 Ų157.3 Ų57.31%0.00530%0.298CS..Hα-helixtrans-66.7-38.5-179.9-71.5169.8-161.200112.7S13 Y14 T17 M40 R46 H47 L48 H135S13-E44 VanDerWaalsContact O-OE2 3.08Å; S13-E44 PolarHBondContact OG-OE1 2.91Å; Y14-E44 WeakPolarHBondContact CA-OE2 3.21Å; Y14-E44 HydrophobicContact CD2-CB 4.14Å; Y14-E44 PolarHBondContact N-OE2 3.48Å; Y14-E44 VanDerWaalsContact N-OE2 3.12Å; T17-E44 VanDerWaalsContact CB-OE2 3.3Å; T17-E44 WeakPolarHBondContact CB-OE2 3.45Å; T17-E44 WeakPolarHBondContact CG2-OE1 3.31Å; T17-E44 WeakPolarHBondContact CG2-OE2 3.39Å; T17-E44 PolarHBondContact OG1-OE2 3.45Å; M40-E44 PolarHBondContact O-N 2.99Å; E44-R46 VanDerWaalsContact C-N 3.27Å; E44-R46 PolarHBondContact O-N 3.02Å; E44-H47 PolarHBondContact O-N 3.06Å; E44-L48 WeakPolarHBondContact O-CB 3.49Å; E44-L48 PolarHBondContact O-N 3.06Å; E44-H135 IonicContact OE1-CE1 3.25Å; E44-H135 IonicContact OE1-ND1 2.97Å
45A85.4Confident79.8Confident41 Ų4155.6 Ų55.634%0.33928%0.284SS..Hα-helixtrans-61.1-38.5171.900000111.7Y14 K41 Q43 S49Y14-A45 HydrophobicContact CE2-CB 4.11Å; K41-A45 WeakPolarHBondContact O-CB 3.18Å; K41-A45 PolarHBondContact O-N 3.12Å; Q43-A45 PolarHBondContact O-N 2.97Å; A45-S49 VanDerWaalsContact O-CB 3.27Å; A45-S49 WeakPolarHBondContact O-CB 3.28Å; A45-S49 PolarHBondContact O-N 3.22Å
46R87.6Confident80.9Confident114 Ų11453.9 Ų53.943%0.4328%0.276SS..Hα-helixtrans-67.3-41.2174.7177.1-176.171.4-149.38.4111.2T42 Q43 E44 K50 D131T42-R46 VanDerWaalsContact O-CB 3.31Å; T42-R46 WeakPolarHBondContact O-CB 3.46Å; T42-R46 PolarHBondContact O-N 2.77Å; Q43-R46 CarbonylContact O-C 3.54Å; Q43-R46 WeakPolarHBondContact O-CA 2.92Å; Q43-R46 VanDerWaalsContact O-CB 3.3Å; Q43-R46 WeakPolarHBondContact O-CB 2.83Å; Q43-R46 PolarHBondContact O-N 3.29Å; Q43-R46 VanDerWaalsContact O-N 3.07Å; E44-R46 VanDerWaalsContact C-N 3.27Å; E44-R46 PolarHBondContact O-N 3.02Å; R46-K50 VanDerWaalsContact O-CB 3.25Å; R46-K50 WeakPolarHBondContact O-CB 3.21Å; R46-K50 PolarHBondContact O-N 3.46Å; R46-D131 IonicContact CZ-OD2 3.82Å; R46-D131 VanDerWaalsContact NH2-CG 3.31Å; R46-D131 IonicContact NH2-OD1 3.83Å; R46-D131 PolarHBondContact NH2-OD1 2.98Å; R46-D131 IonicContact NH2-OD2 3.15Å; R46-D131 PolarHBondContact NH2-OD2 3.14Å
47H85.6Confident81.8Confident0 Ų058.3 Ų58.30%029%0.294CS..Hα-helixtrans-60.9-52.6176.5-61.7170.4000111L10 Q43 E44 S49 K50 F51 F128 D131 E132L10-H47 HydrophobicContact CD1-CB 4.36Å; L10-H47 HydrophobicContact CD2-CB 3.81Å; Q43-H47 PolarHBondContact O-CD2 3.4Å; Q43-H47 PolarHBondContact O-N 2.92Å; E44-H47 PolarHBondContact O-N 3.06Å; H47-S49 PolarHBondContact O-N 2.84Å; H47-K50 PolarHBondContact O-N 3.22Å; H47-F51 WeakPolarHBondContact O-CB 3.38Å; H47-F51 PolarHBondContact O-N 3.25Å; H47-F128 HydrophobicContact CB-CD2 4.46Å; H47-F128 HydrophobicContact CB-CE2 4.29Å; H47-F128 AromaticContact CD2-CD1 3.27Å; H47-F128 WeakPolarHBondContact CD2-CD1 3.41Å; H47-F128 AromaticContact CD2-CD2 3.93Å; H47-F128 AromaticContact CD2-CE1 3.43Å; H47-F128 VanDerWaalsContact CD2-CE1 3.43Å; H47-F128 WeakPolarHBondContact CD2-CE1 3.4Å; H47-F128 AromaticContact CD2-CG 3.53Å; H47-F128 AromaticContact CD2-CZ 3.79Å; H47-F128 AromaticContact NE2-CD1 3.52Å; H47-F128 AromaticContact NE2-CG 3.77Å; H47-D131 IonicContact CD2-OD2 3.5Å; H47-D131 IonicContact CE1-OD2 3.89Å; H47-D131 IonicContact NE2-OD2 3.89Å; H47-D131 PolarHBondContact NE2-OD2 3.04Å; H47-E132 IonicContact CE1-OE1 2.8Å; H47-E132 PolarHBondContact CE1-OE1 2.95Å; H47-E132 VanDerWaalsContact CE1-OE1 3.25Å; H47-E132 IonicContact CE1-OE2 2.64Å; H47-E132 IonicContact ND1-OE1 3.81Å; H47-E132 PolarHBondContact ND1-OE1 3.46Å; H47-E132 VanDerWaalsContact ND1-OE1 3.08Å; H47-E132 IonicContact ND1-OE2 3.72Å
48L82.3Confident82.2Confident25 Ų2561.7 Ų61.713%0.13131%0.31CS..Hα-helixtrans-57.7-48.7178.5-175.665.8000111.2E7 E44 K50 F51 E52E7-L48 HydrophobicContact CG-CD1 4.4Å; E44-L48 WeakPolarHBondContact O-CB 3.49Å; E44-L48 PolarHBondContact O-N 3.06Å; L48-K50 PolarHBondContact O-N 3.07Å; L48-F51 PolarHBondContact O-N 3.08Å; L48-E52 WeakPolarHBondContact O-CG 3.32Å; L48-E52 PolarHBondContact O-N 3.44Å
49S86.5Confident82.3Confident58 Ų5862 Ų6241%0.40632%0.319SS..Hα-helixtrans-62.3-43.9178.8177.60000112.5A45 H47 F51 E52 D53A45-S49 VanDerWaalsContact O-CB 3.27Å; A45-S49 WeakPolarHBondContact O-CB 3.28Å; A45-S49 PolarHBondContact O-N 3.22Å; H47-S49 PolarHBondContact O-N 2.84Å; S49-F51 PolarHBondContact O-N 3.18Å; S49-E52 PolarHBondContact O-N 3.05Å; S49-D53 VanDerWaalsContact O-CG 3.29Å; S49-D53 PolarHBondContact O-N 2.89Å
50K85.6Confident81.9Confident81 Ų8159.7 Ų59.735%0.35231%0.314SS..Hα-helixtrans-63.4-36.8178.6-179.361.2171.2-174.50111.3R46 H47 L48 D53 L54 T124 F128R46-K50 VanDerWaalsContact O-CB 3.25Å; R46-K50 WeakPolarHBondContact O-CB 3.21Å; R46-K50 PolarHBondContact O-N 3.46Å; H47-K50 PolarHBondContact O-N 3.22Å; L48-K50 PolarHBondContact O-N 3.07Å; K50-D53 WeakPolarHBondContact O-CB 3.37Å; K50-D53 PolarHBondContact O-N 3.44Å; K50-L54 HydrophobicContact CG-CD1 4.46Å; K50-L54 VanDerWaalsContact O-CG 3.29Å; K50-L54 WeakPolarHBondContact O-CG 3.38Å; K50-L54 PolarHBondContact O-N 2.93Å; K50-T124 HydrophobicContact CG-CG2 4.02Å; K50-F128 HydrophobicContact CB-CE2 3.88Å; K50-F128 HydrophobicContact CB-CZ 3.54Å; K50-F128 HydrophobicContact CG-CE2 3.83Å; K50-F128 HydrophobicContact CG-CZ 3.57Å
51F80.8Confident81.5Confident9 Ų970.1 Ų70.14%0.03935%0.353CS..Hα-helixtrans-73.2-42.1-179.3177.1-88.2000112P3 V6 E7 H47 L48 S49 D53 L54 I55P3-F51 HydrophobicContact CB-CD2 4.09Å; P3-F51 HydrophobicContact CB-CE1 4.17Å; P3-F51 HydrophobicContact CB-CE2 3.18Å; P3-F51 HydrophobicContact CB-CZ 3.26Å; P3-F51 WeakPolarHBondContact O-CE2 2.94Å; P3-F51 WeakPolarHBondContact O-CZ 3.47Å; V6-F51 HydrophobicContact CB-CD2 4.45Å; V6-F51 HydrophobicContact CB-CE2 3.91Å; V6-F51 HydrophobicContact CB-CZ 4.48Å; V6-F51 HydrophobicContact CG2-CE2 4.38Å; E7-F51 HydrophobicContact CB-CD1 4.41Å; E7-F51 HydrophobicContact CB-CE1 3.49Å; E7-F51 VanDerWaalsContact CB-CE1 3.49Å; E7-F51 HydrophobicContact CB-CZ 3.77Å; E7-F51 HydrophobicContact CG-CD1 4.24Å; E7-F51 HydrophobicContact CG-CE1 3.63Å; E7-F51 HydrophobicContact CG-CZ 4.41Å; H47-F51 WeakPolarHBondContact O-CB 3.38Å; H47-F51 PolarHBondContact O-N 3.25Å; L48-F51 PolarHBondContact O-N 3.08Å; S49-F51 PolarHBondContact O-N 3.18Å; F51-D53 VanDerWaalsContact C-N 3.28Å; F51-D53 PolarHBondContact O-N 3.07Å; F51-L54 PolarHBondContact O-N 3.02Å; F51-L54 VanDerWaalsContact O-N 3.13Å; F51-I55 HydrophobicContact CD1-CD1 3.78Å; F51-I55 HydrophobicContact CD1-CG1 4.34Å; F51-I55 HydrophobicContact CE1-CD1 3.15Å; F51-I55 HydrophobicContact CE1-CG1 3.97Å; F51-I55 HydrophobicContact CZ-CD1 3.73Å; F51-I55 HydrophobicContact CZ-CG1 4.31Å; F51-I55 WeakPolarHBondContact O-CG1 3.37Å; F51-I55 PolarHBondContact O-N 3.05Å
52E81.3Confident81Confident90 Ų9070.8 Ų70.842%0.42136%0.362SS..Hα-helixtrans-56.5-43.5168.9-74.2178.6172.200111L48 S49 L54 I55 N56L48-E52 WeakPolarHBondContact O-CG 3.32Å; L48-E52 PolarHBondContact O-N 3.44Å; S49-E52 PolarHBondContact O-N 3.05Å; E52-L54 VanDerWaalsContact C-N 3.34Å; E52-L54 PolarHBondContact O-N 2.65Å; E52-I55 PolarHBondContact O-N 2.82Å; E52-N56 WeakPolarHBondContact O-CB 3.29Å; E52-N56 VanDerWaalsContact O-CG 3.22Å; E52-N56 PolarHBondContact O-N 3.22Å; E52-N56 PolarHBondContact O-ND2 3.43Å
53D85.1Confident80.6Confident95 Ų9566.8 Ų66.851%0.50834%0.338SS..Hα-helixtrans-61-41.6175.2-73.9-19.5000112S49 K50 F51 N56 K57S49-D53 VanDerWaalsContact O-CG 3.29Å; S49-D53 PolarHBondContact O-N 2.89Å; K50-D53 WeakPolarHBondContact O-CB 3.37Å; K50-D53 PolarHBondContact O-N 3.44Å; F51-D53 VanDerWaalsContact C-N 3.28Å; F51-D53 PolarHBondContact O-N 3.07Å; D53-N56 PolarHBondContact O-N 3.46Å; D53-K57 WeakPolarHBondContact O-CB 3.39Å; D53-K57 PolarHBondContact O-N 3.15Å
54L80.9Confident80.5Confident32 Ų3270.1 Ų70.117%0.16837%0.367CS..Hα-helixtrans-66.2-44.9176.9-73.7171.2000111.8K50 F51 E52 N56 K57 E58 L121K50-L54 HydrophobicContact CG-CD1 4.46Å; K50-L54 VanDerWaalsContact O-CG 3.29Å; K50-L54 WeakPolarHBondContact O-CG 3.38Å; K50-L54 PolarHBondContact O-N 2.93Å; F51-L54 PolarHBondContact O-N 3.02Å; F51-L54 VanDerWaalsContact O-N 3.13Å; E52-L54 VanDerWaalsContact C-N 3.34Å; E52-L54 PolarHBondContact O-N 2.65Å; L54-N56 VanDerWaalsContact C-N 3.31Å; L54-N56 PolarHBondContact O-N 3.17Å; L54-K57 PolarHBondContact O-N 3.27Å; L54-E58 WeakPolarHBondContact O-CB 3.2Å; L54-E58 WeakPolarHBondContact O-CG 3.49Å; L54-E58 PolarHBondContact O-N 3.09Å; L54-L121 HydrophobicContact CD1-CD1 3.96Å; L54-L121 HydrophobicContact CD2-CD1 4.33Å
55I77.5Confident80.7Confident17 Ų1772 Ų729%0.08738%0.377CS..Hα-helixtrans-56.3-48.3174.4-74.5179.8000110.4P3 F51 E52 A59 I60P3-I55 HydrophobicContact CB-CD1 4.09Å; P3-I55 HydrophobicContact CB-CG1 3.67Å; P3-I55 HydrophobicContact CG-CD1 4.26Å; P3-I55 HydrophobicContact CG-CG1 3.66Å; F51-I55 HydrophobicContact CD1-CD1 3.78Å; F51-I55 HydrophobicContact CD1-CG1 4.34Å; F51-I55 HydrophobicContact CE1-CD1 3.15Å; F51-I55 HydrophobicContact CE1-CG1 3.97Å; F51-I55 HydrophobicContact CZ-CD1 3.73Å; F51-I55 HydrophobicContact CZ-CG1 4.31Å; F51-I55 WeakPolarHBondContact O-CG1 3.37Å; F51-I55 PolarHBondContact O-N 3.05Å; E52-I55 PolarHBondContact O-N 2.82Å; I55-A59 PolarHBondContact O-N 2.89Å; I55-I60 WeakPolarHBondContact CG2-O 3.47Å; I55-I60 PolarHBondContact O-N 3.15Å
56N80.8Confident80.6Confident123 Ų12371.1 Ų71.166%0.65837%0.367SS*.Hα-helixtrans-65.7-41.9-178.6-74-37.8000111.9E52 D53 L54E52-N56 WeakPolarHBondContact O-CB 3.29Å; E52-N56 VanDerWaalsContact O-CG 3.22Å; E52-N56 PolarHBondContact O-N 3.22Å; E52-N56 PolarHBondContact O-ND2 3.43Å; D53-N56 PolarHBondContact O-N 3.46Å; L54-N56 VanDerWaalsContact C-N 3.31Å; L54-N56 PolarHBondContact O-N 3.17Å
57K81.9Confident80.5Confident155 Ų15570 Ų7067%0.67437%0.374SS*.Hα-helixtrans-67-43.2-179.8-176.7-176.3173.5-168.70112.2D53 L54 A59D53-K57 WeakPolarHBondContact O-CB 3.39Å; D53-K57 PolarHBondContact O-N 3.15Å; L54-K57 PolarHBondContact O-N 3.27Å; K57-A59 VanDerWaalsContact C-N 3.29Å
58E76.9Confident80.6Confident114 Ų11474.7 Ų74.753%0.53340%0.399SS..THydrogen-bonded Turntrans-88.73.2-176.7-59.2-56.1141.300112.7L54 I60L54-E58 WeakPolarHBondContact O-CB 3.2Å; L54-E58 WeakPolarHBondContact O-CG 3.49Å; L54-E58 PolarHBondContact O-N 3.09Å; E58-I60 HydrophobicContact CB-CD1 3.55Å; E58-I60 HydrophobicContact CB-CG1 3.66Å; E58-I60 HydrophobicContact CG-CD1 4.32Å; E58-I60 PolarHBondContact O-N 3.01Å; E58-I60 VanDerWaalsContact O-N 3.16Å
59A76.1Confident80.9Confident84 Ų8475.3 Ų75.369%0.69440%0.399SS*.THydrogen-bonded Turntrans5135.5-176.900000113.2I55 K57I55-A59 PolarHBondContact O-N 2.89Å; K57-A59 VanDerWaalsContact C-N 3.29Å
60I72.8Confident80.7Confident54 Ų5475.2 Ų75.228%0.27739%0.394SS..PPolyproline II helixtrans-75.7130.3-178-61.3167.9000108.1P3 I55 E58 P62P3-I60 HydrophobicContact CG-CB 3.9Å; P3-I60 HydrophobicContact CG-CD1 3.53Å; P3-I60 HydrophobicContact CG-CG1 4.27Å; P3-I60 HydrophobicContact CG-CG2 3.45Å; P3-I60 VanDerWaalsContact CG-CG2 3.45Å; I55-I60 WeakPolarHBondContact CG2-O 3.47Å; I55-I60 PolarHBondContact O-N 3.15Å; E58-I60 HydrophobicContact CB-CD1 3.55Å; E58-I60 HydrophobicContact CB-CG1 3.66Å; E58-I60 HydrophobicContact CG-CD1 4.32Å; E58-I60 PolarHBondContact O-N 3.01Å; E58-I60 VanDerWaalsContact O-N 3.16Å; I60-P62 WeakPolarHBondContact O-CD 2.87Å
61R70.5Confident80.8Confident225 Ų22576.1 Ų76.185%0.84941%0.406SS*.PPolyproline II helixtrans-80.9119.3177.4-68.4-173.8177.6-172.2-0.6108.8
62P70.7Confident81.2Confident64 Ų6477.9 Ų77.942%0.41642%0.423SS..PPolyproline II helixtrans-62.8153.6171.926.5-32.8000110.4V4 I60 L66V4-P62 HydrophobicContact CG2-CB 4.37Å; I60-P62 WeakPolarHBondContact O-CD 2.87Å; P62-L66 HydrophobicContact CB-CD2 3.92Å
63T77Confident81.4Confident8 Ų873.8 Ų73.85%0.04940%0.404CS..PPolyproline II helixtrans-58.6143174.2-177.90000110.1V4 L65 L66 V171V4-T63 HydrophobicContact CG1-CG2 3.3Å; T63-L65 HydrophobicContact CG2-CB 4.14Å; T63-L65 PolarHBondContact O-N 3.27Å; T63-L65 PolarHBondContact OG1-N 2.91Å; T63-L66 HydrophobicContact CG2-CB 4.13Å; T63-L66 WeakPolarHBondContact O-CB 3.44Å; T63-L66 PolarHBondContact O-N 2.96Å; T63-L66 VanDerWaalsContact O-N 3.09Å; T63-V171 WeakPolarHBondContact CB-OXT 3.17Å; T63-V171 PolarHBondContact OG1-OXT 3.37Å
64A83.2Confident81.3Confident82 Ų8273.4 Ų73.468%0.67840%0.398SS*.THydrogen-bonded Turntrans-60.9-17.2174.300000112.7V171A64-V171 HydrophobicContact CB-CG1 4.35Å
65L86.7Confident81.7Confident41 Ų4173.8 Ų73.822%0.21541%0.406CS..THydrogen-bonded Turntrans-85.7-2.5178.9-60.8177.6000114.1T63 P67 L68 W69 I167 V171T63-L65 HydrophobicContact CG2-CB 4.14Å; T63-L65 PolarHBondContact O-N 3.27Å; T63-L65 PolarHBondContact OG1-N 2.91Å; L65-P67 VanDerWaalsContact C-CD 3.47Å; L65-P67 VanDerWaalsContact C-N 3.35Å; L65-L68 HydrophobicContact CD2-CD2 4.3Å; L65-L68 WeakPolarHBondContact O-CA 3.19Å; L65-L68 VanDerWaalsContact O-CB 3.27Å; L65-L68 WeakPolarHBondContact O-CB 3.16Å; L65-L68 PolarHBondContact O-N 3.35Å; L65-W69 HydrophobicContact CB-CZ2 4.44Å; L65-W69 VanDerWaalsContact CB-NE1 3.27Å; L65-W69 HydrophobicContact CD1-CZ2 4.01Å; L65-W69 PolarHBondContact O-N 3.02Å; L65-I167 HydrophobicContact CD1-CG2 3.51Å; L65-V171 HydrophobicContact CD1-CB 4.09Å; L65-V171 HydrophobicContact CD1-CG1 4.26Å; L65-V171 HydrophobicContact CD1-CG2 4.17Å; L65-V171 HydrophobicContact CG-CB 4.38Å; L65-V171 HydrophobicContact CG-CG1 4.06Å
66L82.8Confident82.2Confident23 Ų2375.1 Ų75.112%0.1241%0.413CS..Hα-helixtrans-53.6-43.6-176.7179.564.8000113.3E7 P62 T63 L68 W69 N70E7-L66 HydrophobicContact CB-CD1 4.28Å; E7-L66 VanDerWaalsContact CD-CD1 3.41Å; E7-L66 HydrophobicContact CG-CD1 4Å; E7-L66 WeakPolarHBondContact OE1-CD1 3.46Å; E7-L66 WeakPolarHBondContact OE1-CD2 3.44Å; P62-L66 HydrophobicContact CB-CD2 3.92Å; T63-L66 HydrophobicContact CG2-CB 4.13Å; T63-L66 WeakPolarHBondContact O-CB 3.44Å; T63-L66 PolarHBondContact O-N 2.96Å; T63-L66 VanDerWaalsContact O-N 3.09Å; L66-L68 VanDerWaalsContact C-N 3.27Å; L66-L68 PolarHBondContact O-N 3.39Å; L66-W69 PolarHBondContact O-N 2.96Å; L66-N70 VanDerWaalsContact O-CG 3.24Å; L66-N70 PolarHBondContact O-N 3.18Å; L66-N70 PolarHBondContact O-OD1 3.09Å
67P85.5Confident82.4Confident89 Ų8969.3 Ų69.358%0.57838%0.382SS*.Hα-helixtrans-61.2-34.2175.8-23.134.6000113.6L65 V71L65-P67 VanDerWaalsContact C-CD 3.47Å; L65-P67 VanDerWaalsContact C-N 3.35Å; P67-V71 WeakPolarHBondContact O-CG2 3.04Å; P67-V71 PolarHBondContact O-N 3.23Å
68L88.9Confident82.4Confident100 Ų10064 Ų6452%0.52436%0.362SS..Hα-helixtrans-67.6-44177.1176.766.5000110.5L65 L66 V71 A72L65-L68 HydrophobicContact CD2-CD2 4.3Å; L65-L68 WeakPolarHBondContact O-CA 3.19Å; L65-L68 VanDerWaalsContact O-CB 3.27Å; L65-L68 WeakPolarHBondContact O-CB 3.16Å; L65-L68 PolarHBondContact O-N 3.35Å; L66-L68 VanDerWaalsContact C-N 3.27Å; L66-L68 PolarHBondContact O-N 3.39Å; L68-V71 PolarHBondContact O-N 3.42Å; L68-A72 PolarHBondContact O-N 3.36Å
69W86.8Confident82.9Confident38 Ų3863.1 Ų63.114%0.14436%0.361CS..Hα-helixtrans-68.8-34.9179.6-57.7133.8000113I8 L65 L66 V71 A72 G73 A164 I167 S168I8-W69 HydrophobicContact CB-CB 4.39Å; I8-W69 HydrophobicContact CD1-CB 4.31Å; I8-W69 HydrophobicContact CD1-CD2 4.37Å; I8-W69 HydrophobicContact CD1-CG 3.79Å; I8-W69 HydrophobicContact CG1-CB 3.8Å; I8-W69 HydrophobicContact CG1-CG 3.84Å; I8-W69 HydrophobicContact CG2-CB 4.03Å; I8-W69 HydrophobicContact CG2-CG 4.31Å; L65-W69 HydrophobicContact CB-CZ2 4.44Å; L65-W69 VanDerWaalsContact CB-NE1 3.27Å; L65-W69 HydrophobicContact CD1-CZ2 4.01Å; L65-W69 PolarHBondContact O-N 3.02Å; L66-W69 PolarHBondContact O-N 2.96Å; W69-V71 VanDerWaalsContact C-N 3.33Å; W69-V71 PolarHBondContact O-N 3.43Å; W69-A72 HydrophobicContact CE3-CB 4.41Å; W69-A72 PolarHBondContact O-N 2.9Å; W69-G73 PolarHBondContact O-N 3.06Å; W69-A164 HydrophobicContact CD2-CB 3.91Å; W69-A164 HydrophobicContact CE3-CB 3.73Å; W69-A164 HydrophobicContact CH2-CB 3.79Å; W69-A164 HydrophobicContact CZ2-CB 3.93Å; W69-A164 HydrophobicContact CZ3-CB 3.68Å; W69-I167 HydrophobicContact CH2-CD1 4.24Å; W69-I167 HydrophobicContact CZ2-CB 4.21Å; W69-I167 HydrophobicContact CZ2-CG2 4.15Å; W69-S168 PolarHBondContact NE1-OG 3.32Å
70N83.2Confident83.3Confident55 Ų5559.2 Ų59.229%0.29433%0.328SS..Hα-helixtrans-61.6-42.4173.8-67.9-2.9000111.3N11 L66 F74N11-N70 PolarHBondContact ND2-OD1 2.89Å; L66-N70 VanDerWaalsContact O-CG 3.24Å; L66-N70 PolarHBondContact O-N 3.18Å; L66-N70 PolarHBondContact O-OD1 3.09Å; N70-F74 WeakPolarHBondContact O-CB 3.3Å; N70-F74 PolarHBondContact O-N 2.68Å
71V87.7Confident83.7Confident100 Ų10056.7 Ų56.761%0.60632%0.315SS*.Hα-helixtrans-65.8-42.5174.7173.80000111.1P67 L68 W69 F74 A75P67-V71 WeakPolarHBondContact O-CG2 3.04Å; P67-V71 PolarHBondContact O-N 3.23Å; L68-V71 PolarHBondContact O-N 3.42Å; W69-V71 VanDerWaalsContact C-N 3.33Å; W69-V71 PolarHBondContact O-N 3.43Å; V71-F74 PolarHBondContact O-N 3.25Å; V71-A75 WeakPolarHBondContact O-CB 3.32Å; V71-A75 PolarHBondContact O-N 3.42Å
72A88.5Confident84.3Confident47 Ų4749.7 Ų49.739%0.38830%0.301SS..Hα-helixtrans-63.3-44.3178.500000112L68 W69 A75 L76L68-A72 PolarHBondContact O-N 3.36Å; W69-A72 HydrophobicContact CE3-CB 4.41Å; W69-A72 PolarHBondContact O-N 2.9Å; A72-A75 PolarHBondContact O-N 3.5Å; A72-L76 WeakPolarHBondContact O-CB 3.41Å; A72-L76 PolarHBondContact O-N 2.83Å
73G85.6Confident85Confident3 Ų352.1 Ų52.13%0.03131%0.309CS..Hα-helixtrans-66.7-40.9178.100000112.5W69 A75 L76 G77W69-G73 PolarHBondContact O-N 3.06Å; G73-A75 PolarHBondContact O-N 3.4Å; G73-L76 PolarHBondContact O-N 3.24Å; G73-G77 PolarHBondContact O-N 3.47Å
74F84.4Confident85.1Confident88 Ų8853 Ų5339%0.38632%0.32SS..Hα-helixtrans-59.8-47.6172-177.7-96.5000112.2V15 K21 N70 V71 L76 G77 V78V15-F74 HydrophobicContact CG1-CD2 3.97Å; V15-F74 HydrophobicContact CG1-CE2 4.49Å; V15-F74 HydrophobicContact CG2-CB 4.35Å; V15-F74 HydrophobicContact CG2-CD2 3.88Å; K21-F74 HydrophobicContact CB-CE2 4.43Å; K21-F74 WeakPolarHBondContact O-CE2 3.36Å; K21-F74 WeakPolarHBondContact O-CZ 3.43Å; N70-F74 WeakPolarHBondContact O-CB 3.3Å; N70-F74 PolarHBondContact O-N 2.68Å; V71-F74 PolarHBondContact O-N 3.25Å; F74-L76 VanDerWaalsContact C-N 3.34Å; F74-L76 PolarHBondContact O-N 2.94Å; F74-G77 PolarHBondContact O-N 2.85Å; F74-V78 HydrophobicContact CD1-CG2 4.1Å; F74-V78 HydrophobicContact CE1-CG2 3.64Å; F74-V78 HydrophobicContact CE2-CG2 4.31Å; F74-V78 HydrophobicContact CZ-CG2 3.76Å; F74-V78 WeakPolarHBondContact O-CG2 3.44Å; F74-V78 PolarHBondContact O-N 2.94Å
75A88.6Confident85.1Confident40 Ų4053 Ų5333%0.33130%0.303SS..Hα-helixtrans-61.8-41.8178.300000111.9V71 A72 G73 V78 I79V71-A75 WeakPolarHBondContact O-CB 3.32Å; V71-A75 PolarHBondContact O-N 3.42Å; A72-A75 PolarHBondContact O-N 3.5Å; G73-A75 PolarHBondContact O-N 3.4Å; A75-V78 PolarHBondContact O-N 2.98Å; A75-I79 WeakPolarHBondContact O-CB 3.04Å; A75-I79 WeakPolarHBondContact O-CD1 3.15Å; A75-I79 WeakPolarHBondContact O-CG1 3.4Å; A75-I79 PolarHBondContact O-N 2.91Å
76L88.3Confident85Confident45 Ų4554.3 Ų54.324%0.23631%0.308CS..Hα-helixtrans-60.6-45.2176.4179.760.5000111.5V12 A72 G73 F74 I79 T80 V157V12-L76 HydrophobicContact CG1-CD2 3.87Å; V12-L76 HydrophobicContact CG1-CG 4.37Å; V12-L76 HydrophobicContact CG2-CD2 4.47Å; A72-L76 WeakPolarHBondContact O-CB 3.41Å; A72-L76 PolarHBondContact O-N 2.83Å; G73-L76 PolarHBondContact O-N 3.24Å; F74-L76 VanDerWaalsContact C-N 3.34Å; F74-L76 PolarHBondContact O-N 2.94Å; L76-I79 PolarHBondContact O-N 3.35Å; L76-T80 HydrophobicContact CD1-CG2 3.98Å; L76-T80 WeakPolarHBondContact O-CB 3.46Å; L76-T80 WeakPolarHBondContact O-CG2 3.44Å; L76-T80 PolarHBondContact O-N 3.27Å; L76-T80 PolarHBondContact O-OG1 2.49Å; L76-V157 HydrophobicContact CD1-CG2 4.13Å; L76-V157 HydrophobicContact CD2-CG1 4.24Å; L76-V157 HydrophobicContact CD2-CG2 4.13Å
77G83.4Confident85.3Confident0 Ų053.4 Ų53.40%030%0.304CS..Hα-helixtrans-60.2-4617500000112.9G73 F74 T80 A81G73-G77 PolarHBondContact O-N 3.47Å; F74-G77 PolarHBondContact O-N 2.85Å; G77-T80 PolarHBondContact O-OG1 2.89Å; G77-A81 WeakPolarHBondContact O-CB 3.19Å; G77-A81 PolarHBondContact O-N 3.12Å
78V83Confident85.3Confident43 Ų4349.5 Ų49.526%0.26128%0.279SS..Hα-helixtrans-62.8-45.8177.1172.60000112L22 F74 A75 S82L22-V78 HydrophobicContact CD2-CB 4.25Å; L22-V78 HydrophobicContact CD2-CG2 3.5Å; F74-V78 HydrophobicContact CD1-CG2 4.1Å; F74-V78 HydrophobicContact CE1-CG2 3.64Å; F74-V78 HydrophobicContact CE2-CG2 4.31Å; F74-V78 HydrophobicContact CZ-CG2 3.76Å; F74-V78 WeakPolarHBondContact O-CG2 3.44Å; F74-V78 PolarHBondContact O-N 2.94Å; A75-V78 PolarHBondContact O-N 2.98Å; V78-S82 WeakPolarHBondContact O-CB 3.45Å; V78-S82 PolarHBondContact O-N 2.66Å
79I86.7Confident85.1Confident97 Ų9745.1 Ų45.150%0.49726%0.256SS..Hα-helixtrans-63-49.6-179.1-70.7164.7000110A75 L76 S82 L83A75-I79 WeakPolarHBondContact O-CB 3.04Å; A75-I79 WeakPolarHBondContact O-CD1 3.15Å; A75-I79 WeakPolarHBondContact O-CG1 3.4Å; A75-I79 PolarHBondContact O-N 2.91Å; L76-I79 PolarHBondContact O-N 3.35Å; I79-S82 PolarHBondContact O-N 2.81Å; I79-S82 VanDerWaalsContact O-N 3.14Å; I79-S82 PolarHBondContact O-OG 2.9Å; I79-L83 HydrophobicContact CG2-CD1 4.37Å; I79-L83 WeakPolarHBondContact O-CG 3.42Å; I79-L83 PolarHBondContact O-N 3.18Å; I79-L83 VanDerWaalsContact O-N 3.13Å
80T84.2Confident85.3Confident1 Ų143.3 Ų43.31%0.00625%0.249CC..Hα-helixtrans-67.4-39.4-17752.80000112L76 G77 S82 L83 G84 A87 C91 L153L76-T80 HydrophobicContact CD1-CG2 3.98Å; L76-T80 WeakPolarHBondContact O-CB 3.46Å; L76-T80 WeakPolarHBondContact O-CG2 3.44Å; L76-T80 PolarHBondContact O-N 3.27Å; L76-T80 PolarHBondContact O-OG1 2.49Å; G77-T80 PolarHBondContact O-OG1 2.89Å; T80-S82 VanDerWaalsContact C-N 3.3Å; T80-S82 PolarHBondContact O-N 3.5Å; T80-L83 PolarHBondContact O-N 3.04Å; T80-G84 PolarHBondContact O-N 3.39Å; T80-A87 WeakPolarHBondContact O-CB 3.44Å; T80-C91 HydrophobicContact CG2-CB 3.77Å; T80-L153 HydrophobicContact CG2-CD1 4.19Å
81A81.2Confident85.5Confident1 Ų140.7 Ų40.71%0.00824%0.235CC..Hα-helixtrans-60.8-38.817100000112.4L22 I26 I28 G77 L83 G84L22-A81 HydrophobicContact CD1-CB 3.74Å; I26-A81 HydrophobicContact CD1-CB 3.72Å; I26-A81 HydrophobicContact CG2-CB 4.39Å; I26-A81 WeakPolarHBondContact CG2-O 3.31Å; I28-A81 HydrophobicContact CD1-CB 4.12Å; G77-A81 WeakPolarHBondContact O-CB 3.19Å; G77-A81 PolarHBondContact O-N 3.12Å; A81-L83 VanDerWaalsContact C-N 3.28Å; A81-L83 PolarHBondContact O-N 3.34Å; A81-G84 PolarHBondContact O-N 3.45Å
82S83.4Confident85.6Confident78 Ų7836.2 Ų36.255%0.54521%0.208SC..Hα-helixtrans-68.4-26.117978.80000113.5V78 I79 T80 G84V78-S82 WeakPolarHBondContact O-CB 3.45Å; V78-S82 PolarHBondContact O-N 2.66Å; I79-S82 PolarHBondContact O-N 2.81Å; I79-S82 VanDerWaalsContact O-N 3.14Å; I79-S82 PolarHBondContact O-OG 2.9Å; T80-S82 VanDerWaalsContact C-N 3.3Å; T80-S82 PolarHBondContact O-N 3.5Å; S82-G84 PolarHBondContact O-N 2.84Å
83L85.2Confident85.7Confident115 Ų11534.1 Ų34.160%0.60219%0.19SC*.THydrogen-bonded Turntrans-76.5-9.2173.5-67.5173000112.8I79 T80 A81 A87I79-L83 HydrophobicContact CG2-CD1 4.37Å; I79-L83 WeakPolarHBondContact O-CG 3.42Å; I79-L83 PolarHBondContact O-N 3.18Å; I79-L83 VanDerWaalsContact O-N 3.13Å; T80-L83 PolarHBondContact O-N 3.04Å; A81-L83 VanDerWaalsContact C-N 3.28Å; A81-L83 PolarHBondContact O-N 3.34Å; L83-A87 HydrophobicContact CB-CB 3.58Å; L83-A87 HydrophobicContact CD1-CB 4.49Å
84G80.6Confident86Confident27 Ų2734 Ų3428%0.27819%0.189SC..  trans110.6172.4174.800000113.6T80 A81 S82 Q86 A87 A88T80-G84 PolarHBondContact O-N 3.39Å; A81-G84 PolarHBondContact O-N 3.45Å; S82-G84 PolarHBondContact O-N 2.84Å; G84-Q86 VanDerWaalsContact C-N 3.34Å; G84-Q86 PolarHBondContact O-N 3.15Å; G84-A87 PolarHBondContact O-N 3.49Å; G84-A87 VanDerWaalsContact O-N 3.11Å; G84-A88 PolarHBondContact O-N 3.23Å; G84-A88 VanDerWaalsContact O-N 3.08Å
85R82.6Confident86.3Confident81 Ų8129.8 Ų29.831%0.30617%0.17SC..Hα-helixtrans-52.2-47.9-173.4179.8-175.6174.6170.4-7.4113.1C32 A87 A88 M89 N142C32-R85 VanDerWaalsContact CA-NH1 3.33Å; C32-R85 PolarHBondContact O-NE 3.45Å; C32-R85 PolarHBondContact O-NH1 3.41Å; C32-R85 PolarHBondContact O-NH2 2.94Å; C32-R85 PolarHBondContact SG-NH1 2.82Å; R85-A87 VanDerWaalsContact C-N 3.3Å; R85-A87 PolarHBondContact O-N 3.08Å; R85-A88 WeakPolarHBondContact O-CB 3.41Å; R85-A88 PolarHBondContact O-N 3.29Å; R85-M89 HydrophobicContact CG-CG 4.28Å; R85-M89 VanDerWaalsContact O-CG 3.32Å; R85-M89 WeakPolarHBondContact O-CG 3.26Å; R85-M89 PolarHBondContact O-N 3.05Å; R85-N142 PolarHBondContact NH2-OD1 3.14Å
86Q85.5Confident86.4Confident70 Ų7027.9 Ų27.933%0.32716%0.155SC..Hα-helixtrans-63.4-39.2-176.4-64.4169.6-2600111.3G84 M89 A90 D143 K146 A147G84-Q86 VanDerWaalsContact C-N 3.34Å; G84-Q86 PolarHBondContact O-N 3.15Å; Q86-M89 PolarHBondContact O-N 3.07Å; Q86-A90 VanDerWaalsContact O-CB 3.27Å; Q86-A90 WeakPolarHBondContact O-CB 3.21Å; Q86-A90 PolarHBondContact O-N 3.32Å; Q86-D143 HydrophobicContact CG-CB 4.27Å; Q86-K146 HydrophobicContact CG-CB 4.37Å; Q86-K146 VanDerWaalsContact NE2-CB 3.33Å; Q86-K146 PolarHBondContact OE1-O 2.9Å; Q86-A147 HydrophobicContact CB-CB 3.9Å; Q86-A147 WeakPolarHBondContact O-CB 3.49Å
87A87.2Confident86.6Confident4 Ų429.2 Ų29.23%0.03316%0.16CC..Hα-helixtrans-68-38.5176.800000112.2T80 L83 G84 R85 A90 C91 L153T80-A87 WeakPolarHBondContact O-CB 3.44Å; L83-A87 HydrophobicContact CB-CB 3.58Å; L83-A87 HydrophobicContact CD1-CB 4.49Å; G84-A87 PolarHBondContact O-N 3.49Å; G84-A87 VanDerWaalsContact O-N 3.11Å; R85-A87 VanDerWaalsContact C-N 3.3Å; R85-A87 PolarHBondContact O-N 3.08Å; A87-A90 PolarHBondContact O-N 3.32Å; A87-C91 PolarHBondContact O-N 3.16Å; A87-L153 HydrophobicContact CB-CD2 4.27Å
88A85.5Confident87Confident7 Ų729.5 Ų29.56%0.05816%0.161CC..Hα-helixtrans-61.2-48.9171.600000111.5G84 R85 A90 C91 T92G84-A88 PolarHBondContact O-N 3.23Å; G84-A88 VanDerWaalsContact O-N 3.08Å; R85-A88 WeakPolarHBondContact O-CB 3.41Å; R85-A88 PolarHBondContact O-N 3.29Å; A88-A90 VanDerWaalsContact C-N 3.32Å; A88-A90 PolarHBondContact O-N 2.83Å; A88-C91 WeakPolarHBondContact O-CB 3.41Å; A88-C91 PolarHBondContact O-N 2.91Å; A88-C91 VanDerWaalsContact O-N 3.12Å; A88-T92 PolarHBondContact O-N 2.85Å; A88-T92 PolarHBondContact O-OG1 3.35Å
89M85.9Confident87.3Confident7 Ų727.5 Ų27.53%0.03415%0.149CC..Hα-helixtrans-63.3-37.5177.9-62.2-62.191.700112.1L33 R85 Q86 C91 T92 V93 N142 A144L33-M89 HydrophobicContact CD1-CE 3.65Å; L33-M89 HydrophobicContact CD1-SD 4.24Å; L33-M89 HydrophobicContact CD2-CE 3.74Å; L33-M89 HydrophobicContact CD2-SD 4.06Å; L33-M89 HydrophobicContact CG-CE 4.19Å; L33-M89 HydrophobicContact CG-SD 4.39Å; R85-M89 HydrophobicContact CG-CG 4.28Å; R85-M89 VanDerWaalsContact O-CG 3.32Å; R85-M89 WeakPolarHBondContact O-CG 3.26Å; R85-M89 PolarHBondContact O-N 3.05Å; Q86-M89 PolarHBondContact O-N 3.07Å; M89-C91 VanDerWaalsContact C-N 3.33Å; M89-T92 WeakPolarHBondContact O-CB 3.41Å; M89-T92 PolarHBondContact O-N 2.98Å; M89-V93 WeakPolarHBondContact O-CG2 3.42Å; M89-V93 PolarHBondContact O-N 3.31Å; M89-N142 HydrophobicContact CG-CB 3.91Å; M89-N142 HydrophobicContact SD-CB 3.72Å; M89-A144 HydrophobicContact CB-CB 3.83Å
90A90.2Very high87.5Confident0 Ų023.1 Ų23.10%013%0.128CC..Hα-helixtrans-63.6-38.6173.600000112.4Q86 A87 A88 A94 A144 A147 Y150 L153Q86-A90 VanDerWaalsContact O-CB 3.27Å; Q86-A90 WeakPolarHBondContact O-CB 3.21Å; Q86-A90 PolarHBondContact O-N 3.32Å; A87-A90 PolarHBondContact O-N 3.32Å; A88-A90 VanDerWaalsContact C-N 3.32Å; A88-A90 PolarHBondContact O-N 2.83Å; A90-A94 VanDerWaalsContact O-CB 3.31Å; A90-A94 WeakPolarHBondContact O-CB 3.39Å; A90-A94 PolarHBondContact O-N 3.27Å; A90-A144 HydrophobicContact CB-CB 4.5Å; A90-A147 HydrophobicContact CB-CB 3.77Å; A90-Y150 HydrophobicContact CB-CD2 3.56Å; A90-Y150 HydrophobicContact CB-CE2 3.83Å; A90-L153 HydrophobicContact CB-CD2 3.82Å
91C88.8Confident87.9Confident0 Ų026.7 Ų26.70%014%0.144CC..Hα-helixtrans-65-43.9172.8-165.30000111.4L16 T80 A87 A88 M89 A94 V95L16-C91 HydrophobicContact CD1-CB 3.92Å; L16-C91 HydrophobicContact CD2-CB 4.34Å; T80-C91 HydrophobicContact CG2-CB 3.77Å; A87-C91 PolarHBondContact O-N 3.16Å; A88-C91 WeakPolarHBondContact O-CB 3.41Å; A88-C91 PolarHBondContact O-N 2.91Å; A88-C91 VanDerWaalsContact O-N 3.12Å; M89-C91 VanDerWaalsContact C-N 3.33Å; C91-A94 PolarHBondContact O-N 3.16Å; C91-V95 VanDerWaalsContact O-CG2 3.29Å; C91-V95 WeakPolarHBondContact O-CG2 3.37Å; C91-V95 PolarHBondContact O-N 3.18Å
92T88.9Confident88.2Confident6 Ų628.3 Ų28.34%0.03715%0.152CC..Hα-helixtrans-55.9-59174.6-58.70000109.8A88 M89 A94 V95 E96A88-T92 PolarHBondContact O-N 2.85Å; A88-T92 PolarHBondContact O-OG1 3.35Å; M89-T92 WeakPolarHBondContact O-CB 3.41Å; M89-T92 PolarHBondContact O-N 2.98Å; T92-A94 PolarHBondContact O-N 3.28Å; T92-A94 VanDerWaalsContact O-N 3.11Å; T92-V95 PolarHBondContact O-N 3.28Å; T92-E96 HydrophobicContact CG2-CG 3.76Å; T92-E96 VanDerWaalsContact O-CG 3.27Å; T92-E96 WeakPolarHBondContact O-CG 3.45Å; T92-E96 PolarHBondContact O-N 2.66Å
93V90.3Very high88.6Confident3 Ų324.8 Ų24.82%0.01813%0.126CC..Hα-helixtrans-50.5-44.9179170.80000112.2M89 E97 L136 I140 A144 Y150M89-V93 WeakPolarHBondContact O-CG2 3.42Å; M89-V93 PolarHBondContact O-N 3.31Å; V93-E97 VanDerWaalsContact O-CB 3.31Å; V93-E97 WeakPolarHBondContact O-CB 3.34Å; V93-E97 PolarHBondContact O-N 2.8Å; V93-L136 HydrophobicContact CG1-CD2 4.44Å; V93-L136 HydrophobicContact CG1-CG 4.18Å; V93-I140 HydrophobicContact CG1-CD1 3.93Å; V93-I140 HydrophobicContact CG1-CG1 4.43Å; V93-I140 HydrophobicContact CG2-CD1 3.96Å; V93-I140 HydrophobicContact CG2-CG1 4.02Å; V93-A144 HydrophobicContact CB-CB 4.43Å; V93-A144 HydrophobicContact CG2-CB 3.63Å; V93-Y150 WeakPolarHBondContact CG1-OH 3.37Å
94A92.5Very high89Confident0 Ų021.5 Ų21.50%011%0.109CC..Hα-helixtrans-65.4-39.6-179.100000113.5A90 C91 T92 T154 V157 Q158A90-A94 VanDerWaalsContact O-CB 3.31Å; A90-A94 WeakPolarHBondContact O-CB 3.39Å; A90-A94 PolarHBondContact O-N 3.27Å; C91-A94 PolarHBondContact O-N 3.16Å; T92-A94 PolarHBondContact O-N 3.28Å; T92-A94 VanDerWaalsContact O-N 3.11Å; A94-T154 HydrophobicContact CB-CG2 3.83Å; A94-V157 HydrophobicContact CB-CB 3.91Å; A94-V157 HydrophobicContact CB-CG1 3.78Å; A94-Q158 HydrophobicContact CB-CG 4.35Å; A94-Q158 WeakPolarHBondContact O-CG 3.48Å
95V90.9Very high89.5Confident0 Ų024.3 Ų24.30%012%0.118CC..Hα-helixtrans-73.4-48.2178.2171.70000110.4C9 V12 C91 T92 E97 L98 I99 V157C9-V95 HydrophobicContact CB-CG1 4.37Å; C9-V95 WeakPolarHBondContact O-CG1 3.3Å; V12-V95 HydrophobicContact CB-CG1 4.3Å; V12-V95 HydrophobicContact CB-CG2 4.12Å; V12-V95 HydrophobicContact CG1-CG2 3.66Å; C91-V95 VanDerWaalsContact O-CG2 3.29Å; C91-V95 WeakPolarHBondContact O-CG2 3.37Å; C91-V95 PolarHBondContact O-N 3.18Å; T92-V95 PolarHBondContact O-N 3.28Å; V95-E97 VanDerWaalsContact C-N 3.32Å; V95-E97 PolarHBondContact O-N 2.95Å; V95-L98 WeakPolarHBondContact O-CA 3.39Å; V95-L98 WeakPolarHBondContact O-CB 3.46Å; V95-L98 PolarHBondContact O-N 3.34Å; V95-I99 HydrophobicContact CG1-CD1 3.61Å; V95-I99 HydrophobicContact CG1-CG1 4.14Å; V95-I99 WeakPolarHBondContact O-CG1 3.43Å; V95-I99 PolarHBondContact O-N 3.44Å; V95-V157 HydrophobicContact CG2-CG1 3.57Å
96E90.4Very high89.8Confident1 Ų120.7 Ų20.71%0.00510%0.104CC..Hα-helixtrans-63.8-37.4-177.7-57.9-41.2146.100112.3S13 T92 L98 I99 G100 E132 H135 L136S13-E96 VanDerWaalsContact CB-OE1 3.23Å; S13-E96 WeakPolarHBondContact CB-OE1 3.27Å; S13-E96 PolarHBondContact OG-OE1 3.06Å; T92-E96 HydrophobicContact CG2-CG 3.76Å; T92-E96 VanDerWaalsContact O-CG 3.27Å; T92-E96 WeakPolarHBondContact O-CG 3.45Å; T92-E96 PolarHBondContact O-N 2.66Å; E96-L98 PolarHBondContact O-N 3.09Å; E96-I99 PolarHBondContact O-N 2.95Å; E96-G100 PolarHBondContact O-N 3.29Å; E96-E132 HydrophobicContact CB-CB 4.47Å; E96-H135 HydrophobicContact CB-CB 4.45Å; E96-H135 HydrophobicContact CG-CB 3.65Å; E96-L136 HydrophobicContact CB-CB 4.06Å
97E92.5Very high90Very high72 Ų7217.7 Ų17.734%0.3369%0.091SC..Hα-helixtrans-59-41.1173-169-173172.700111.1V93 V95 Q101 L136 Q158V93-E97 VanDerWaalsContact O-CB 3.31Å; V93-E97 WeakPolarHBondContact O-CB 3.34Å; V93-E97 PolarHBondContact O-N 2.8Å; V95-E97 VanDerWaalsContact C-N 3.32Å; V95-E97 PolarHBondContact O-N 2.95Å; E97-Q101 WeakPolarHBondContact O-CB 3.23Å; E97-Q101 WeakPolarHBondContact O-CG 3.41Å; E97-Q101 PolarHBondContact O-N 3.42Å; E97-Q101 PolarHBondContact OE1-NE2 3.33Å; E97-Q101 VanDerWaalsContact OE1-NE2 3.15Å; E97-L136 HydrophobicContact CB-CD1 3.71Å; E97-L136 HydrophobicContact CG-CD1 4.14Å; E97-Q158 PolarHBondContact OE2-NE2 3.12Å
98L90.9Very high90.3Very high7 Ų725.2 Ų25.24%0.03712%0.118CC..Hα-helixtrans-73.2-40.1-178.6-175.4148000112.1C9 V95 E96 Q101 H102 Q158 C161 K162 I165C9-L98 HydrophobicContact CB-CD2 4.24Å; C9-L98 WeakPolarHBondContact SG-CD2 3.27Å; V95-L98 WeakPolarHBondContact O-CA 3.39Å; V95-L98 WeakPolarHBondContact O-CB 3.46Å; V95-L98 PolarHBondContact O-N 3.34Å; E96-L98 PolarHBondContact O-N 3.09Å; L98-Q101 PolarHBondContact O-N 3.37Å; L98-H102 WeakPolarHBondContact O-CB 3.47Å; L98-H102 PolarHBondContact O-N 3.4Å; L98-Q158 HydrophobicContact CD1-CB 4.33Å; L98-Q158 HydrophobicContact CD1-CG 4.47Å; L98-C161 HydrophobicContact CD1-CB 3.55Å; L98-C161 HydrophobicContact CD2-CB 3.98Å; L98-C161 HydrophobicContact CG-CB 4.43Å; L98-K162 HydrophobicContact CD1-CD 4.42Å; L98-K162 HydrophobicContact CD1-CG 3.71Å; L98-I165 HydrophobicContact CD2-CD1 4.07Å
99I89.8Confident90.6Very high1 Ų129.6 Ų29.61%0.00514%0.138CC..Hα-helixtrans-64.2-47.8174.7-61.4172.3000109.9V6 C9 L10 V95 E96 Q101 H102 Y103 E132V6-I99 HydrophobicContact CG1-CG2 4.19Å; C9-I99 HydrophobicContact CB-CD1 3.82Å; C9-I99 HydrophobicContact CB-CG1 3.42Å; C9-I99 VanDerWaalsContact CB-CG1 3.42Å; L10-I99 HydrophobicContact CD2-CD1 4.28Å; V95-I99 HydrophobicContact CG1-CD1 3.61Å; V95-I99 HydrophobicContact CG1-CG1 4.14Å; V95-I99 WeakPolarHBondContact O-CG1 3.43Å; V95-I99 PolarHBondContact O-N 3.44Å; E96-I99 PolarHBondContact O-N 2.95Å; I99-Q101 VanDerWaalsContact C-N 3.33Å; I99-Q101 PolarHBondContact O-N 2.74Å; I99-H102 WeakPolarHBondContact O-CB 3.44Å; I99-H102 PolarHBondContact O-N 2.85Å; I99-Y103 HydrophobicContact CG2-CD2 3.8Å; I99-Y103 HydrophobicContact CG2-CE2 3.32Å; I99-Y103 PolarHBondContact O-N 3.38Å; I99-E132 HydrophobicContact CB-CG 4.15Å; I99-E132 HydrophobicContact CG2-CG 3.7Å; I99-E132 WeakPolarHBondContact CG2-OE1 3.46Å
100G92Very high90.8Very high4 Ų429.9 Ų29.94%0.04114%0.139CC..Hα-helixtrans-61.4-37.3177.400000113.3E96 N104E96-G100 PolarHBondContact O-N 3.29Å; G100-N104 PolarHBondContact O-N 2.86Å; G100-N104 VanDerWaalsContact O-N 3.09Å; G100-N104 PolarHBondContact O-ND2 2.96Å
101Q90.9Very high90.9Very high76 Ų7633.8 Ų33.836%0.35516%0.158SC..Hα-helixtrans-62-45.5170.6-77.7172.115.400111.3E97 L98 I99 N104 D105E97-Q101 WeakPolarHBondContact O-CB 3.23Å; E97-Q101 WeakPolarHBondContact O-CG 3.41Å; E97-Q101 PolarHBondContact O-N 3.42Å; E97-Q101 PolarHBondContact OE1-NE2 3.33Å; E97-Q101 VanDerWaalsContact OE1-NE2 3.15Å; L98-Q101 PolarHBondContact O-N 3.37Å; I99-Q101 VanDerWaalsContact C-N 3.33Å; I99-Q101 PolarHBondContact O-N 2.74Å; Q101-N104 WeakPolarHBondContact O-CB 3.29Å; Q101-N104 PolarHBondContact O-N 3Å; Q101-D105 PolarHBondContact O-N 3.37Å
102H88.9Confident91.1Very high36 Ų3638.5 Ų38.517%0.16719%0.191CC..Hα-helixtrans-63.8-44.1179.8-168.592.1000112.3D5 V6 L98 I99 N104 D105 Q106D5-H102 WeakPolarHBondContact CB-CE1 3.35Å; D5-H102 IonicContact OD2-CE1 2.68Å; D5-H102 PolarHBondContact OD2-CE1 3.46Å; V6-H102 WeakPolarHBondContact CG2-CD2 3.49Å; V6-H102 WeakPolarHBondContact CG2-NE2 3.4Å; L98-H102 WeakPolarHBondContact O-CB 3.47Å; L98-H102 PolarHBondContact O-N 3.4Å; I99-H102 WeakPolarHBondContact O-CB 3.44Å; I99-H102 PolarHBondContact O-N 2.85Å; H102-N104 VanDerWaalsContact C-N 3.32Å; H102-N104 PolarHBondContact O-N 3.46Å; H102-D105 PolarHBondContact O-N 2.79Å; H102-Q106 PolarHBondContact CD2-NE2 3.02Å; H102-Q106 PolarHBondContact NE2-NE2 3.2Å; H102-Q106 WeakPolarHBondContact O-CG 3.4Å; H102-Q106 PolarHBondContact O-N 2.88Å
103Y90.8Very high91.2Very high4 Ų444 Ų442%0.01622%0.22CC..Hα-helixtrans-61-40.5174-70.1-39.5000112.3V6 I99 D105 Q106 I107 L125 F128 R129 E132V6-Y103 HydrophobicContact CG1-CE1 3.74Å; V6-Y103 HydrophobicContact CG2-CE1 4.37Å; I99-Y103 HydrophobicContact CG2-CD2 3.8Å; I99-Y103 HydrophobicContact CG2-CE2 3.32Å; I99-Y103 PolarHBondContact O-N 3.38Å; Y103-D105 VanDerWaalsContact C-N 3.32Å; Y103-D105 PolarHBondContact O-N 3.43Å; Y103-Q106 PolarHBondContact O-N 2.93Å; Y103-I107 WeakPolarHBondContact O-CB 3.47Å; Y103-I107 WeakPolarHBondContact O-CD1 3.45Å; Y103-I107 WeakPolarHBondContact O-CG1 3.4Å; Y103-I107 PolarHBondContact O-N 3.27Å; Y103-L125 HydrophobicContact CD1-CD2 3.71Å; Y103-L125 HydrophobicContact CE1-CD2 3.98Å; Y103-F128 HydrophobicContact CD2-CB 4.06Å; Y103-F128 HydrophobicContact CE1-CB 4.36Å; Y103-F128 HydrophobicContact CE1-CD2 4.34Å; Y103-F128 HydrophobicContact CE2-CB 3.55Å; Y103-F128 AromaticContact CZ-CD2 4Å; Y103-R129 HydrophobicContact CD2-CB 4.21Å; Y103-R129 HydrophobicContact CG-CB 4.49Å; Y103-E132 HydrophobicContact CD2-CG 4.06Å; Y103-E132 HydrophobicContact CE2-CG 3.73Å
104N92.9Very high91.2Very high46 Ų4646.1 Ų46.125%0.24624%0.235CC..Hα-helixtrans-60.7-40.9174.9-84-50000112.5G100 Q101 H102 I107 R108 R129G100-N104 PolarHBondContact O-N 2.86Å; G100-N104 VanDerWaalsContact O-N 3.09Å; G100-N104 PolarHBondContact O-ND2 2.96Å; Q101-N104 WeakPolarHBondContact O-CB 3.29Å; Q101-N104 PolarHBondContact O-N 3Å; H102-N104 VanDerWaalsContact C-N 3.32Å; H102-N104 PolarHBondContact O-N 3.46Å; N104-I107 PolarHBondContact O-N 3.26Å; N104-R108 VanDerWaalsContact O-CG 3.29Å; N104-R108 WeakPolarHBondContact O-CG 3.5Å; N104-R108 PolarHBondContact O-N 2.84Å; N104-R129 VanDerWaalsContact CG-CD 3.42Å; N104-R129 WeakPolarHBondContact ND2-CD 3.19Å; N104-R129 WeakPolarHBondContact OD1-CD 3.32Å; N104-R129 PolarHBondContact OD1-NH1 2.65Å; N104-R129 VanDerWaalsContact OD1-NH1 3.15Å
105D91.1Very high91.1Very high85 Ų8551 Ų5146%0.45526%0.258SS..Hα-helixtrans-69.5-40178.3-71-20.9000111.7Q101 H102 Y103 R108 E109Q101-D105 PolarHBondContact O-N 3.37Å; H102-D105 PolarHBondContact O-N 2.79Å; Y103-D105 VanDerWaalsContact C-N 3.32Å; Y103-D105 PolarHBondContact O-N 3.43Å; D105-R108 WeakPolarHBondContact O-CB 3.3Å; D105-R108 PolarHBondContact O-N 2.88Å; D105-R108 IonicContact OD1-CZ 3.02Å; D105-R108 IonicContact OD1-NH1 2.65Å; D105-R108 PolarHBondContact OD1-NH1 2.61Å; D105-E109 PolarHBondContact O-N 2.83Å
106Q88.9Confident91.1Very high5 Ų557.7 Ų57.72%0.02329%0.29CS..Hα-helixtrans-61.3-43.8172.2-70.9-176.9-6.600112.2M1 H102 Y103 R108 E109 L110 L125M1-Q106 HydrophobicContact CG-CG 4.11Å; M1-Q106 HydrophobicContact SD-CB 4.41Å; M1-Q106 HydrophobicContact SD-CG 4.32Å; H102-Q106 PolarHBondContact CD2-NE2 3.02Å; H102-Q106 PolarHBondContact NE2-NE2 3.2Å; H102-Q106 WeakPolarHBondContact O-CG 3.4Å; H102-Q106 PolarHBondContact O-N 2.88Å; Y103-Q106 PolarHBondContact O-N 2.93Å; Q106-R108 VanDerWaalsContact C-N 3.3Å; Q106-R108 PolarHBondContact O-N 3.21Å; Q106-E109 PolarHBondContact O-N 2.85Å; Q106-L110 VanDerWaalsContact O-CG 3.31Å; Q106-L110 WeakPolarHBondContact O-CG 3.48Å; Q106-L110 PolarHBondContact O-N 3.34Å; Q106-L125 HydrophobicContact CB-CD1 3.82Å; Q106-L125 VanDerWaalsContact OE1-CD2 3.23Å
107I91.7Very high91.1Very high8 Ų861.1 Ų61.14%0.04132%0.318CS..Hα-helixtrans-58.8-44.2175.8-70.4160.1000110.2Y103 N104 L110 M111 I122 L125 K126Y103-I107 WeakPolarHBondContact O-CB 3.47Å; Y103-I107 WeakPolarHBondContact O-CD1 3.45Å; Y103-I107 WeakPolarHBondContact O-CG1 3.4Å; Y103-I107 PolarHBondContact O-N 3.27Å; N104-I107 PolarHBondContact O-N 3.26Å; I107-L110 PolarHBondContact O-N 3Å; I107-M111 HydrophobicContact CG2-CG 4.26Å; I107-M111 HydrophobicContact CG2-SD 3.8Å; I107-M111 WeakPolarHBondContact O-CB 3.46Å; I107-M111 WeakPolarHBondContact O-CG 3.39Å; I107-M111 PolarHBondContact O-N 3.05Å; I107-I122 HydrophobicContact CG2-CG2 4.25Å; I107-L125 HydrophobicContact CD1-CB 4.03Å; I107-L125 HydrophobicContact CG1-CB 3.67Å; I107-L125 HydrophobicContact CG1-CD1 4.29Å; I107-K126 HydrophobicContact CD1-CB 4.47Å; I107-K126 HydrophobicContact CD1-CG 3.73Å; I107-K126 HydrophobicContact CG1-CG 4.42Å
108R93.2Very high90.9Very high161 Ų16160.1 Ų60.161%0.60831%0.313SS*.Hα-helixtrans-62.8-43.4177.4-71.6167.4-176.9157.5-1.3111.9N104 D105 Q106 S112N104-R108 VanDerWaalsContact O-CG 3.29Å; N104-R108 WeakPolarHBondContact O-CG 3.5Å; N104-R108 PolarHBondContact O-N 2.84Å; D105-R108 WeakPolarHBondContact O-CB 3.3Å; D105-R108 PolarHBondContact O-N 2.88Å; D105-R108 IonicContact OD1-CZ 3.02Å; D105-R108 IonicContact OD1-NH1 2.65Å; D105-R108 PolarHBondContact OD1-NH1 2.61Å; Q106-R108 VanDerWaalsContact C-N 3.3Å; Q106-R108 PolarHBondContact O-N 3.21Å; R108-S112 WeakPolarHBondContact O-CB 3.35Å; R108-S112 PolarHBondContact O-N 3.03Å; R108-S112 PolarHBondContact O-OG 3.2Å
109E90.6Very high90.9Very high100 Ų10065.2 Ų65.247%0.46734%0.335SS..Hα-helixtrans-58.9-51.7176.7-169.8-172.7170.400110.4M1 D105 Q106 M111 S112 D113M1-E109 VanDerWaalsContact N-CD 3.34Å; M1-E109 PolarHBondContact N-OE1 3.38Å; M1-E109 PolarHBondContact N-OE2 2.9Å; D105-E109 PolarHBondContact O-N 2.83Å; Q106-E109 PolarHBondContact O-N 2.85Å; E109-M111 PolarHBondContact O-N 3.2Å; E109-S112 PolarHBondContact O-N 3.03Å; E109-S112 VanDerWaalsContact O-N 3.12Å; E109-S112 PolarHBondContact O-OG 3.05Å; E109-D113 PolarHBondContact O-N 3Å
110L90.3Very high91Very high13 Ų1372.9 Ų72.97%0.06837%0.371CS..Hα-helixtrans-65.4-39.2-178.7-66.4171.1000113M1 Q106 I107 S112 D113 S114 H118 L121 I122 L125M1-L110 HydrophobicContact SD-CD1 4.22Å; Q106-L110 VanDerWaalsContact O-CG 3.31Å; Q106-L110 WeakPolarHBondContact O-CG 3.48Å; Q106-L110 PolarHBondContact O-N 3.34Å; I107-L110 PolarHBondContact O-N 3Å; L110-S112 VanDerWaalsContact C-N 3.27Å; L110-S112 PolarHBondContact O-N 3.32Å; L110-D113 PolarHBondContact O-N 3.38Å; L110-S114 CarbonylContact O-C 3.45Å; L110-S114 PolarHBondContact O-N 3Å; L110-H118 HydrophobicContact CB-CB 4.05Å; L110-H118 HydrophobicContact CD2-CB 4.1Å; L110-H118 HydrophobicContact CG-CB 4.48Å; L110-L121 HydrophobicContact CD1-CB 4.37Å; L110-L121 HydrophobicContact CD1-CD2 3.6Å; L110-L121 HydrophobicContact CD1-CG 3.71Å; L110-L121 HydrophobicContact CD2-CD2 4.05Å; L110-L121 HydrophobicContact CG-CD2 4.5Å; L110-I122 HydrophobicContact CB-CD1 3.92Å; L110-I122 HydrophobicContact CB-CG1 3.68Å; L110-I122 HydrophobicContact CD1-CG1 4.04Å; L110-L125 HydrophobicContact CD1-CD1 3.54Å
111M92.3Very high90.8Very high82 Ų8274.5 Ų74.540%0.40438%0.379SS..Hα-helixtrans-64.3-33.9174.1-74.3-17873.600111.9I107 E109 I122I107-M111 HydrophobicContact CG2-CG 4.26Å; I107-M111 HydrophobicContact CG2-SD 3.8Å; I107-M111 WeakPolarHBondContact O-CB 3.46Å; I107-M111 WeakPolarHBondContact O-CG 3.39Å; I107-M111 PolarHBondContact O-N 3.05Å; E109-M111 PolarHBondContact O-N 3.2Å; M111-I122 HydrophobicContact CG-CD1 3.86Å
112S92.6Very high90.8Very high99 Ų9971.1 Ų71.169%0.69236%0.363SS*.Hα-helixtrans-75.4-29178.575.30000113.8R108 E109 L110R108-S112 WeakPolarHBondContact O-CB 3.35Å; R108-S112 PolarHBondContact O-N 3.03Å; R108-S112 PolarHBondContact O-OG 3.2Å; E109-S112 PolarHBondContact O-N 3.03Å; E109-S112 VanDerWaalsContact O-N 3.12Å; E109-S112 PolarHBondContact O-OG 3.05Å; L110-S112 VanDerWaalsContact C-N 3.27Å; L110-S112 PolarHBondContact O-N 3.32Å
113D90.7Very high91Very high120 Ų12074.7 Ų74.764%0.64238%0.379SS*.Hα-helixtrans-78-62.6176.4-176.650.5000111.2E109 L110 H118E109-D113 PolarHBondContact O-N 3Å; L110-D113 PolarHBondContact O-N 3.38Å; D113-H118 IonicContact OD2-CD2 3.6Å; D113-H118 IonicContact OD2-CE1 3.8Å; D113-H118 IonicContact OD2-NE2 2.75Å; D113-H118 PolarHBondContact OD2-NE2 2.96Å
114S91Very high91Very high48 Ų4875.5 Ų75.534%0.33639%0.385SS..Hα-helixtrans-168102.2174.5-174.10000111.2L110 E116 A117 H118L110-S114 CarbonylContact O-C 3.45Å; L110-S114 PolarHBondContact O-N 3Å; S114-E116 VanDerWaalsContact C-N 3.28Å; S114-E116 PolarHBondContact O-N 3.5Å; S114-A117 PolarHBondContact O-N 2.93Å; S114-A117 WeakPolarHBondContact OG-CB 3.34Å; S114-A117 PolarHBondContact OG-N 3.5Å; S114-H118 PolarHBondContact O-CD2 2.94Å; S114-H118 PolarHBondContact O-N 3.18Å; S114-H118 VanDerWaalsContact O-N 3.08Å
115E90.2Very high90.9Very high103 Ų10373.6 Ų73.648%0.48138%0.375SS..THydrogen-bonded Turntrans-57.2-40179.5-176.8173.1-173.300112.7K119 I122E115-K119 WeakPolarHBondContact O-CA 3.36Å; E115-K119 PolarHBondContact O-N 3.35Å; E115-I122 HydrophobicContact CB-CD1 4.5Å; E115-I122 HydrophobicContact CG-CD1 4.2Å
116E92.1Very high91Very high141 Ų14173 Ų7366%0.65937%0.368SS*.THydrogen-bonded Turntrans-72.8-36.1-179-166.861.8-152.700112.1S114 H118 K119S114-E116 VanDerWaalsContact C-N 3.28Å; S114-E116 PolarHBondContact O-N 3.5Å; E116-H118 VanDerWaalsContact C-N 3.32Å; E116-K119 IonicContact OE1-NZ 3.85Å
117A90.1Very high91.2Very high73 Ų7377.3 Ų77.360%0.60339%0.388SS*.THydrogen-bonded Turntrans-69-33177.300000112.2S114S114-A117 PolarHBondContact O-N 2.93Å; S114-A117 WeakPolarHBondContact OG-CB 3.34Å; S114-A117 PolarHBondContact OG-N 3.5Å
118H88.8Confident91.2Very high50 Ų5077.4 Ų77.423%0.23139%0.388CS..THydrogen-bonded Turntrans-105.413.4-174.5-59.7-56000114L110 D113 S114 E116 E120 L121 I122L110-H118 HydrophobicContact CB-CB 4.05Å; L110-H118 HydrophobicContact CD2-CB 4.1Å; L110-H118 HydrophobicContact CG-CB 4.48Å; D113-H118 IonicContact OD2-CD2 3.6Å; D113-H118 IonicContact OD2-CE1 3.8Å; D113-H118 IonicContact OD2-NE2 2.75Å; D113-H118 PolarHBondContact OD2-NE2 2.96Å; S114-H118 PolarHBondContact O-CD2 2.94Å; S114-H118 PolarHBondContact O-N 3.18Å; S114-H118 VanDerWaalsContact O-N 3.08Å; E116-H118 VanDerWaalsContact C-N 3.32Å; H118-E120 PolarHBondContact O-N 2.74Å; H118-L121 PolarHBondContact O-N 3.35Å; H118-I122 HydrophobicContact CB-CD1 3.96Å; H118-I122 HydrophobicContact CB-CG1 4.19Å; H118-I122 WeakPolarHBondContact O-CG1 3.32Å; H118-I122 PolarHBondContact O-N 3.45Å
119K91.1Very high91.2Very high115 Ų11572.1 Ų72.150%0.537%0.368SS..Hα-helixtrans-52.1-46.5-171-172.7175.6-174.8168.60114.3E115 E116 Q123E115-K119 WeakPolarHBondContact O-CA 3.36Å; E115-K119 PolarHBondContact O-N 3.35Å; E116-K119 IonicContact OE1-NZ 3.85Å; K119-Q123 WeakPolarHBondContact O-CB 3.27Å; K119-Q123 PolarHBondContact O-N 3.47Å
120E89.9Confident91.3Very high161 Ų16170.8 Ų70.875%0.75237%0.365SS*.Hα-helixtrans-65.3-39.7179-66.3-174.4172.300112.3H118 Q123 T124H118-E120 PolarHBondContact O-N 2.74Å; E120-Q123 PolarHBondContact O-N 3Å; E120-T124 PolarHBondContact O-N 3.34Å; E120-T124 PolarHBondContact O-OG1 2.68Å
121L88.8Confident91.3Very high39 Ų3971 Ų7120%0.20437%0.366CS..Hα-helixtrans-70.5-45.4178.9-177.558.8000110.8M1 L54 L110 H118 Q123 T124 L125M1-L121 HydrophobicContact CE-CD1 4.26Å; M1-L121 HydrophobicContact CE-CD2 4.38Å; M1-L121 HydrophobicContact SD-CD2 3.95Å; L54-L121 HydrophobicContact CD1-CD1 3.96Å; L54-L121 HydrophobicContact CD2-CD1 4.33Å; L110-L121 HydrophobicContact CD1-CB 4.37Å; L110-L121 HydrophobicContact CD1-CD2 3.6Å; L110-L121 HydrophobicContact CD1-CG 3.71Å; L110-L121 HydrophobicContact CD2-CD2 4.05Å; L110-L121 HydrophobicContact CG-CD2 4.5Å; H118-L121 PolarHBondContact O-N 3.35Å; L121-Q123 VanDerWaalsContact C-N 3.27Å; L121-Q123 PolarHBondContact O-N 2.8Å; L121-T124 WeakPolarHBondContact O-CB 3.45Å; L121-T124 PolarHBondContact O-N 3.29Å; L121-T124 VanDerWaalsContact O-N 3.15Å; L121-L125 HydrophobicContact CD1-CD1 4.48Å; L121-L125 HydrophobicContact CD1-CG 4.32Å; L121-L125 HydrophobicContact CG-CD1 4.21Å; L121-L125 HydrophobicContact CG-CG 4.48Å; L121-L125 WeakPolarHBondContact O-CG 3.49Å; L121-L125 PolarHBondContact O-N 2.92Å
122I91.3Very high91.1Very high5 Ų567.2 Ų67.23%0.02635%0.347CS..Hα-helixtrans-57.2-42.3175-70.2166.9000110.7I107 L110 M111 E115 H118 L125 K126I107-I122 HydrophobicContact CG2-CG2 4.25Å; L110-I122 HydrophobicContact CB-CD1 3.92Å; L110-I122 HydrophobicContact CB-CG1 3.68Å; L110-I122 HydrophobicContact CD1-CG1 4.04Å; M111-I122 HydrophobicContact CG-CD1 3.86Å; E115-I122 HydrophobicContact CB-CD1 4.5Å; E115-I122 HydrophobicContact CG-CD1 4.2Å; H118-I122 HydrophobicContact CB-CD1 3.96Å; H118-I122 HydrophobicContact CB-CG1 4.19Å; H118-I122 WeakPolarHBondContact O-CG1 3.32Å; H118-I122 PolarHBondContact O-N 3.45Å; I122-L125 PolarHBondContact O-N 2.77Å; I122-K126 HydrophobicContact CG2-CD 4.15Å; I122-K126 WeakPolarHBondContact O-CB 3.3Å; I122-K126 VanDerWaalsContact O-CG 3.3Å; I122-K126 WeakPolarHBondContact O-CG 3.47Å; I122-K126 PolarHBondContact O-N 2.96Å
123Q93.1Very high91Very high110 Ų11066.2 Ų66.251%0.51433%0.334SS..Hα-helixtrans-63.8-46.2176.6-176.8176.2-9.800111.6K119 E120 L121 L125 K126 E127K119-Q123 WeakPolarHBondContact O-CB 3.27Å; K119-Q123 PolarHBondContact O-N 3.47Å; E120-Q123 PolarHBondContact O-N 3Å; L121-Q123 VanDerWaalsContact C-N 3.27Å; L121-Q123 PolarHBondContact O-N 2.8Å; Q123-L125 VanDerWaalsContact C-N 3.33Å; Q123-L125 PolarHBondContact O-N 3.21Å; Q123-K126 WeakPolarHBondContact O-CB 3.49Å; Q123-K126 PolarHBondContact O-N 2.97Å; Q123-E127 PolarHBondContact NE2-OE1 3.29Å; Q123-E127 VanDerWaalsContact NE2-OE1 3.14Å; Q123-E127 WeakPolarHBondContact O-CG 3.36Å; Q123-E127 PolarHBondContact O-N 3.45Å
124T90.5Very high90.9Very high22 Ų2264.5 Ų64.514%0.13532%0.322CS..Hα-helixtrans-58.1-46176.9-56.10000111.3K50 E120 L121 K126 E127 F128K50-T124 HydrophobicContact CG-CG2 4.02Å; E120-T124 PolarHBondContact O-N 3.34Å; E120-T124 PolarHBondContact O-OG1 2.68Å; L121-T124 WeakPolarHBondContact O-CB 3.45Å; L121-T124 PolarHBondContact O-N 3.29Å; L121-T124 VanDerWaalsContact O-N 3.15Å; T124-K126 VanDerWaalsContact C-N 3.33Å; T124-K126 PolarHBondContact O-N 3.06Å; T124-E127 PolarHBondContact O-N 3.13Å; T124-F128 HydrophobicContact CG2-CD1 4.49Å; T124-F128 HydrophobicContact CG2-CD2 4.36Å; T124-F128 HydrophobicContact CG2-CE1 4.09Å; T124-F128 HydrophobicContact CG2-CE2 3.96Å; T124-F128 HydrophobicContact CG2-CZ 3.84Å; T124-F128 WeakPolarHBondContact O-CG 3.25Å; T124-F128 PolarHBondContact O-N 2.9Å
125L91.1Very high90.6Very high5 Ų562.2 Ų62.23%0.02631%0.306CS..Hα-helixtrans-67-33.4179.6-66.1176000112.6M1 Y103 Q106 I107 L110 L121 I122 Q123 R129M1-L125 HydrophobicContact CE-CD1 4.39Å; M1-L125 HydrophobicContact CE-CD2 4.27Å; M1-L125 HydrophobicContact SD-CD1 4.26Å; Y103-L125 HydrophobicContact CD1-CD2 3.71Å; Y103-L125 HydrophobicContact CE1-CD2 3.98Å; Q106-L125 HydrophobicContact CB-CD1 3.82Å; Q106-L125 VanDerWaalsContact OE1-CD2 3.23Å; I107-L125 HydrophobicContact CD1-CB 4.03Å; I107-L125 HydrophobicContact CG1-CB 3.67Å; I107-L125 HydrophobicContact CG1-CD1 4.29Å; L110-L125 HydrophobicContact CD1-CD1 3.54Å; L121-L125 HydrophobicContact CD1-CD1 4.48Å; L121-L125 HydrophobicContact CD1-CG 4.32Å; L121-L125 HydrophobicContact CG-CD1 4.21Å; L121-L125 HydrophobicContact CG-CG 4.48Å; L121-L125 WeakPolarHBondContact O-CG 3.49Å; L121-L125 PolarHBondContact O-N 2.92Å; I122-L125 PolarHBondContact O-N 2.77Å; Q123-L125 VanDerWaalsContact C-N 3.33Å; Q123-L125 PolarHBondContact O-N 3.21Å; L125-R129 VanDerWaalsContact O-CB 3.28Å; L125-R129 WeakPolarHBondContact O-CB 3.42Å; L125-R129 PolarHBondContact O-N 3.48Å
126K93.6Very high90.4Very high74 Ų7458.7 Ų58.732%0.32229%0.29SS..Hα-helixtrans-64.7-46172.9-77.5173.1179.6174.10111I107 I122 Q123 T124 F128 R129 D130I107-K126 HydrophobicContact CD1-CB 4.47Å; I107-K126 HydrophobicContact CD1-CG 3.73Å; I107-K126 HydrophobicContact CG1-CG 4.42Å; I122-K126 HydrophobicContact CG2-CD 4.15Å; I122-K126 WeakPolarHBondContact O-CB 3.3Å; I122-K126 VanDerWaalsContact O-CG 3.3Å; I122-K126 WeakPolarHBondContact O-CG 3.47Å; I122-K126 PolarHBondContact O-N 2.96Å; Q123-K126 WeakPolarHBondContact O-CB 3.49Å; Q123-K126 PolarHBondContact O-N 2.97Å; T124-K126 VanDerWaalsContact C-N 3.33Å; T124-K126 PolarHBondContact O-N 3.06Å; K126-F128 VanDerWaalsContact C-N 3.33Å; K126-F128 PolarHBondContact O-N 3.2Å; K126-R129 PolarHBondContact O-N 3.45Å; K126-D130 WeakPolarHBondContact O-CB 3.12Å; K126-D130 PolarHBondContact O-N 3.12Å
127E92.7Very high90.2Very high94 Ų9456.3 Ų56.344%0.43928%0.282SS..Hα-helixtrans-58.9-45.3176.1-70.7171.2-165.800110.9Q123 T124 D130 D131Q123-E127 PolarHBondContact NE2-OE1 3.29Å; Q123-E127 VanDerWaalsContact NE2-OE1 3.14Å; Q123-E127 WeakPolarHBondContact O-CG 3.36Å; Q123-E127 PolarHBondContact O-N 3.45Å; T124-E127 PolarHBondContact O-N 3.13Å; E127-D130 PolarHBondContact O-N 2.93Å; E127-D131 PolarHBondContact O-N 3.46Å
128F91.6Very high89.9Confident11 Ų1153 Ų535%0.04825%0.254CS..Hα-helixtrans-67.1-43.8179.3-690.3000112.4H47 K50 Y103 T124 K126 D130 D131 E132H47-F128 HydrophobicContact CB-CD2 4.46Å; H47-F128 HydrophobicContact CB-CE2 4.29Å; H47-F128 AromaticContact CD2-CD1 3.27Å; H47-F128 WeakPolarHBondContact CD2-CD1 3.41Å; H47-F128 AromaticContact CD2-CD2 3.93Å; H47-F128 AromaticContact CD2-CE1 3.43Å; H47-F128 VanDerWaalsContact CD2-CE1 3.43Å; H47-F128 WeakPolarHBondContact CD2-CE1 3.4Å; H47-F128 AromaticContact CD2-CG 3.53Å; H47-F128 AromaticContact CD2-CZ 3.79Å; H47-F128 AromaticContact NE2-CD1 3.52Å; H47-F128 AromaticContact NE2-CG 3.77Å; K50-F128 HydrophobicContact CB-CE2 3.88Å; K50-F128 HydrophobicContact CB-CZ 3.54Å; K50-F128 HydrophobicContact CG-CE2 3.83Å; K50-F128 HydrophobicContact CG-CZ 3.57Å; Y103-F128 HydrophobicContact CD2-CB 4.06Å; Y103-F128 HydrophobicContact CE1-CB 4.36Å; Y103-F128 HydrophobicContact CE1-CD2 4.34Å; Y103-F128 HydrophobicContact CE2-CB 3.55Å; Y103-F128 AromaticContact CZ-CD2 4Å; T124-F128 HydrophobicContact CG2-CD1 4.49Å; T124-F128 HydrophobicContact CG2-CD2 4.36Å; T124-F128 HydrophobicContact CG2-CE1 4.09Å; T124-F128 HydrophobicContact CG2-CE2 3.96Å; T124-F128 HydrophobicContact CG2-CZ 3.84Å; T124-F128 WeakPolarHBondContact O-CG 3.25Å; T124-F128 PolarHBondContact O-N 2.9Å; K126-F128 VanDerWaalsContact C-N 3.33Å; K126-F128 PolarHBondContact O-N 3.2Å; F128-D130 VanDerWaalsContact C-N 3.26Å; F128-D130 PolarHBondContact O-N 3.01Å; F128-D131 WeakPolarHBondContact O-CB 3.49Å; F128-D131 PolarHBondContact O-N 3.21Å; F128-E132 WeakPolarHBondContact O-CG 3.35Å; F128-E132 PolarHBondContact O-N 3.15Å
129R92.5Very high89.6Confident49 Ų4950.6 Ų50.619%0.18524%0.243CC..Hα-helixtrans-56.4-43.7173.3179.6-157.364.3-163.5-4.1111.8Y103 N104 L125 K126 D131 E132 L133Y103-R129 HydrophobicContact CD2-CB 4.21Å; Y103-R129 HydrophobicContact CG-CB 4.49Å; N104-R129 VanDerWaalsContact CG-CD 3.42Å; N104-R129 WeakPolarHBondContact ND2-CD 3.19Å; N104-R129 WeakPolarHBondContact OD1-CD 3.32Å; N104-R129 PolarHBondContact OD1-NH1 2.65Å; N104-R129 VanDerWaalsContact OD1-NH1 3.15Å; L125-R129 VanDerWaalsContact O-CB 3.28Å; L125-R129 WeakPolarHBondContact O-CB 3.42Å; L125-R129 PolarHBondContact O-N 3.48Å; K126-R129 PolarHBondContact O-N 3.45Å; R129-D131 VanDerWaalsContact C-N 3.32Å; R129-E132 PolarHBondContact O-N 2.91Å; R129-L133 HydrophobicContact CG-CD1 4.4Å; R129-L133 WeakPolarHBondContact O-CG 3.31Å; R129-L133 PolarHBondContact O-N 3.32Å
130D92.8Very high89.4Confident73 Ų7347.6 Ų47.639%0.3923%0.232SC..Hα-helixtrans-67.6-36.5-178.9-64.7-8.2000110.5K126 E127 F128 L133 E134K126-D130 WeakPolarHBondContact O-CB 3.12Å; K126-D130 PolarHBondContact O-N 3.12Å; E127-D130 PolarHBondContact O-N 2.93Å; F128-D130 VanDerWaalsContact C-N 3.26Å; F128-D130 PolarHBondContact O-N 3.01Å; D130-L133 PolarHBondContact O-N 3.48Å; D130-E134 WeakPolarHBondContact O-CG 3.38Å; D130-E134 PolarHBondContact O-N 2.97Å; D130-E134 VanDerWaalsContact O-N 3.17Å
131D90.4Very high89.2Confident18 Ų1846.9 Ų46.910%0.09623%0.229CC..Hα-helixtrans-58.8-47.2169.1-63.5-47.5000111.7Q43 R46 H47 E127 F128 R129 L133 E134 H135Q43-D131 PolarHBondContact NE2-OD1 2.98Å; R46-D131 IonicContact CZ-OD2 3.82Å; R46-D131 VanDerWaalsContact NH2-CG 3.31Å; R46-D131 IonicContact NH2-OD1 3.83Å; R46-D131 PolarHBondContact NH2-OD1 2.98Å; R46-D131 IonicContact NH2-OD2 3.15Å; R46-D131 PolarHBondContact NH2-OD2 3.14Å; H47-D131 IonicContact CD2-OD2 3.5Å; H47-D131 IonicContact CE1-OD2 3.89Å; H47-D131 IonicContact NE2-OD2 3.89Å; H47-D131 PolarHBondContact NE2-OD2 3.04Å; E127-D131 PolarHBondContact O-N 3.46Å; F128-D131 WeakPolarHBondContact O-CB 3.49Å; F128-D131 PolarHBondContact O-N 3.21Å; R129-D131 VanDerWaalsContact C-N 3.32Å; D131-L133 VanDerWaalsContact C-N 3.32Å; D131-L133 PolarHBondContact O-N 3.24Å; D131-E134 WeakPolarHBondContact O-CB 3.31Å; D131-E134 PolarHBondContact O-N 3.23Å; D131-E134 VanDerWaalsContact O-N 3.12Å; D131-H135 PolarHBondContact O-CD2 3Å; D131-H135 VanDerWaalsContact O-CG 3.32Å; D131-H135 PolarHBondContact O-N 3.37Å
132E88.9Confident88.9Confident1 Ų146.1 Ų46.11%0.00523%0.225CC..Hα-helixtrans-67-32.7-178.8-51.3-49.1-175.400113H47 E96 I99 Y103 F128 R129 E134 H135 L136H47-E132 IonicContact CE1-OE1 2.8Å; H47-E132 PolarHBondContact CE1-OE1 2.95Å; H47-E132 VanDerWaalsContact CE1-OE1 3.25Å; H47-E132 IonicContact CE1-OE2 2.64Å; H47-E132 IonicContact ND1-OE1 3.81Å; H47-E132 PolarHBondContact ND1-OE1 3.46Å; H47-E132 VanDerWaalsContact ND1-OE1 3.08Å; H47-E132 IonicContact ND1-OE2 3.72Å; E96-E132 HydrophobicContact CB-CB 4.47Å; I99-E132 HydrophobicContact CB-CG 4.15Å; I99-E132 HydrophobicContact CG2-CG 3.7Å; I99-E132 WeakPolarHBondContact CG2-OE1 3.46Å; Y103-E132 HydrophobicContact CD2-CG 4.06Å; Y103-E132 HydrophobicContact CE2-CG 3.73Å; F128-E132 WeakPolarHBondContact O-CG 3.35Å; F128-E132 PolarHBondContact O-N 3.15Å; R129-E132 PolarHBondContact O-N 2.91Å; E132-E134 VanDerWaalsContact C-N 3.31Å; E132-H135 PolarHBondContact O-N 3.28Å; E132-H135 IonicContact OE2-CE1 3.99Å; E132-H135 PolarHBondContact OE2-CE1 3.11Å; E132-H135 IonicContact OE2-CG 3.7Å; E132-H135 IonicContact OE2-ND1 3.08Å; E132-H135 PolarHBondContact OE2-ND1 2.99Å; E132-L136 WeakPolarHBondContact O-CB 3.26Å; E132-L136 PolarHBondContact O-N 3.34Å
133L89.9Confident88.5Confident79 Ų7949 Ų4941%0.41424%0.24SC..Hα-helixtrans-65.1-38.2173.5-71.8174.3000111.1R129 D130 D131 L136 D137R129-L133 HydrophobicContact CG-CD1 4.4Å; R129-L133 WeakPolarHBondContact O-CG 3.31Å; R129-L133 PolarHBondContact O-N 3.32Å; D130-L133 PolarHBondContact O-N 3.48Å; D131-L133 VanDerWaalsContact C-N 3.32Å; D131-L133 PolarHBondContact O-N 3.24Å; L133-L136 PolarHBondContact O-N 3.4Å; L133-D137 WeakPolarHBondContact O-CB 3.37Å; L133-D137 PolarHBondContact O-N 3.39Å
134E87.7Confident88.1Confident83 Ų8343.7 Ų43.739%0.38822%0.216SC..Hα-helixtrans-65.6-39.2172.3-68.4-176.3-173.600112R39 D130 D131 E132 D137 C138R39-E134 IonicContact CZ-OE2 3.86Å; R39-E134 IonicContact NH1-OE2 2.65Å; R39-E134 PolarHBondContact NH1-OE2 2.95Å; R39-E134 IonicContact NH2-OE2 2.79Å; R39-E134 PolarHBondContact NH2-OE2 2.89Å; R39-E134 VanDerWaalsContact NH2-OE2 3.15Å; D130-E134 WeakPolarHBondContact O-CG 3.38Å; D130-E134 PolarHBondContact O-N 2.97Å; D130-E134 VanDerWaalsContact O-N 3.17Å; D131-E134 WeakPolarHBondContact O-CB 3.31Å; D131-E134 PolarHBondContact O-N 3.23Å; D131-E134 VanDerWaalsContact O-N 3.12Å; E132-E134 VanDerWaalsContact C-N 3.31Å; E134-D137 PolarHBondContact O-N 3.07Å; E134-C138 VanDerWaalsContact O-CB 3.3Å; E134-C138 WeakPolarHBondContact O-CB 3.29Å; E134-C138 PolarHBondContact O-N 2.86Å
135H84.7Confident88.1Confident1 Ų148.7 Ų48.71%0.00524%0.237CC..Hα-helixtrans-63.6-41.7175.3-62.2167.7000112M40 Q43 E44 E96 D131 E132 C138 G139M40-H135 WeakPolarHBondContact CG-CD2 3.48Å; M40-H135 HydrophobicContact SD-CB 4.13Å; M40-H135 VanDerWaalsContact SD-CD2 3.53Å; Q43-H135 PolarHBondContact OE1-NE2 3.45Å; Q43-H135 VanDerWaalsContact OE1-NE2 3.15Å; E44-H135 IonicContact OE1-CE1 3.25Å; E44-H135 IonicContact OE1-ND1 2.97Å; E96-H135 HydrophobicContact CB-CB 4.45Å; E96-H135 HydrophobicContact CG-CB 3.65Å; D131-H135 PolarHBondContact O-CD2 3Å; D131-H135 VanDerWaalsContact O-CG 3.32Å; D131-H135 PolarHBondContact O-N 3.37Å; E132-H135 PolarHBondContact O-N 3.28Å; E132-H135 IonicContact OE2-CE1 3.99Å; E132-H135 PolarHBondContact OE2-CE1 3.11Å; E132-H135 IonicContact OE2-CG 3.7Å; E132-H135 IonicContact OE2-ND1 3.08Å; E132-H135 PolarHBondContact OE2-ND1 2.99Å; H135-C138 WeakPolarHBondContact O-CB 3.48Å; H135-C138 PolarHBondContact O-N 3.08Å; H135-G139 PolarHBondContact O-N 2.92Å
136L87.2Confident88Confident29 Ų2954.6 Ų54.615%0.15226%0.263CS..Hα-helixtrans-60.5-51.4174-172.1162.6000110.8V93 E96 E97 E132 L133 C138 G139 I140V93-L136 HydrophobicContact CG1-CD2 4.44Å; V93-L136 HydrophobicContact CG1-CG 4.18Å; E96-L136 HydrophobicContact CB-CB 4.06Å; E97-L136 HydrophobicContact CB-CD1 3.71Å; E97-L136 HydrophobicContact CG-CD1 4.14Å; E132-L136 WeakPolarHBondContact O-CB 3.26Å; E132-L136 PolarHBondContact O-N 3.34Å; L133-L136 PolarHBondContact O-N 3.4Å; L136-C138 VanDerWaalsContact C-N 3.28Å; L136-C138 PolarHBondContact O-N 3.12Å; L136-G139 WeakPolarHBondContact O-CA 3.32Å; L136-G139 PolarHBondContact O-N 3.23Å; L136-I140 HydrophobicContact CD2-CG1 3.94Å; L136-I140 WeakPolarHBondContact O-CG1 3.2Å; L136-I140 PolarHBondContact O-N 2.89Å
137D87.7Confident87.7Confident90 Ų9051.4 Ų51.448%0.48125%0.25SS..Hα-helixtrans-60.2-40.3178.5-81.1-20.4000111.5L133 E134 I140 Q141L133-D137 WeakPolarHBondContact O-CB 3.37Å; L133-D137 PolarHBondContact O-N 3.39Å; E134-D137 PolarHBondContact O-N 3.07Å; D137-I140 PolarHBondContact O-N 3.02Å; D137-Q141 WeakPolarHBondContact O-CB 3.36Å; D137-Q141 VanDerWaalsContact O-CG 3.25Å; D137-Q141 WeakPolarHBondContact O-CG 3.43Å; D137-Q141 PolarHBondContact O-N 3.37Å
138C83.4Confident87.3Confident3 Ų350.8 Ų50.82%0.0225%0.254CS..Hα-helixtrans-57.2-49171.4166.60000110.7E36 M40 E134 H135 L136 I140 Q141 N142E36-C138 PolarHBondContact OE2-SG 3.4Å; E36-C138 VanDerWaalsContact OE2-SG 3.33Å; M40-C138 WeakPolarHBondContact CE-SG 3.22Å; M40-C138 HydrophobicContact SD-CB 4.25Å; E134-C138 VanDerWaalsContact O-CB 3.3Å; E134-C138 WeakPolarHBondContact O-CB 3.29Å; E134-C138 PolarHBondContact O-N 2.86Å; H135-C138 WeakPolarHBondContact O-CB 3.48Å; H135-C138 PolarHBondContact O-N 3.08Å; L136-C138 VanDerWaalsContact C-N 3.28Å; L136-C138 PolarHBondContact O-N 3.12Å; C138-I140 VanDerWaalsContact C-N 3.35Å; C138-I140 PolarHBondContact O-N 2.97Å; C138-Q141 PolarHBondContact O-N 2.96Å; C138-N142 VanDerWaalsContact O-CB 3.3Å; C138-N142 WeakPolarHBondContact O-CB 3.32Å; C138-N142 PolarHBondContact O-N 2.96Å; C138-N142 PolarHBondContact O-ND2 3.34Å; C138-N142 PolarHBondContact SG-ND2 2.98Å; C138-N142 VanDerWaalsContact SG-ND2 3.37Å
139G82.7Confident87.1Confident0 Ų058.1 Ų58.10%029%0.286CS..Hα-helixtrans-57.3-44.317700000113.2H135 L136 N142 A144H135-G139 PolarHBondContact O-N 2.92Å; L136-G139 WeakPolarHBondContact O-CA 3.32Å; L136-G139 PolarHBondContact O-N 3.23Å; G139-N142 CarbonylContact O-C 3.51Å; G139-N142 PolarHBondContact O-N 2.97Å; G139-A144 WeakPolarHBondContact O-CB 3.21Å; G139-A144 PolarHBondContact O-N 3.44Å; G139-A144 VanDerWaalsContact O-N 3.14Å
140I87Confident87Confident53 Ų5357.7 Ų57.727%0.27229%0.285SS..Hα-helixtrans-63-47.8176.7-65-65.4000111.5V93 L136 D137 C138 N142 D143 E145V93-I140 HydrophobicContact CG1-CD1 3.93Å; V93-I140 HydrophobicContact CG1-CG1 4.43Å; V93-I140 HydrophobicContact CG2-CD1 3.96Å; V93-I140 HydrophobicContact CG2-CG1 4.02Å; L136-I140 HydrophobicContact CD2-CG1 3.94Å; L136-I140 WeakPolarHBondContact O-CG1 3.2Å; L136-I140 PolarHBondContact O-N 2.89Å; D137-I140 PolarHBondContact O-N 3.02Å; C138-I140 VanDerWaalsContact C-N 3.35Å; C138-I140 PolarHBondContact O-N 2.97Å; I140-N142 PolarHBondContact O-N 2.88Å; I140-D143 PolarHBondContact O-N 2.78Å; I140-E145 HydrophobicContact CD1-CG 3.88Å
141Q86.3Confident86.9Confident145 Ų14559.6 Ų59.668%0.67830%0.3SS*.Hα-helixtrans-62.1-25.8177.4-71.1177.417.300112.6D137 C138 D143D137-Q141 WeakPolarHBondContact O-CB 3.36Å; D137-Q141 VanDerWaalsContact O-CG 3.25Å; D137-Q141 WeakPolarHBondContact O-CG 3.43Å; D137-Q141 PolarHBondContact O-N 3.37Å; C138-Q141 PolarHBondContact O-N 2.96Å; Q141-D143 VanDerWaalsContact C-N 3.32Å; Q141-D143 PolarHBondContact O-N 3.14Å
142N80.8Confident87Confident24 Ų2463.1 Ų63.113%0.12832%0.318CS..THydrogen-bonded Turntrans-94.729.6179.4-74.1-76.3000113.6R85 M89 C138 G139 I140 A144R85-N142 PolarHBondContact NH2-OD1 3.14Å; M89-N142 HydrophobicContact CG-CB 3.91Å; M89-N142 HydrophobicContact SD-CB 3.72Å; C138-N142 VanDerWaalsContact O-CB 3.3Å; C138-N142 WeakPolarHBondContact O-CB 3.32Å; C138-N142 PolarHBondContact O-N 2.96Å; C138-N142 PolarHBondContact O-ND2 3.34Å; C138-N142 PolarHBondContact SG-ND2 2.98Å; C138-N142 VanDerWaalsContact SG-ND2 3.37Å; G139-N142 CarbonylContact O-C 3.51Å; G139-N142 PolarHBondContact O-N 2.97Å; I140-N142 PolarHBondContact O-N 2.88Å; N142-A144 PolarHBondContact O-N 3.43Å
143D84.2Confident87.1Confident64 Ų6464.4 Ų64.434%0.34233%0.325SS..THydrogen-bonded Turntrans67.327.6172.1-71.3-29000115.1Q86 I140 Q141 E145 K146Q86-D143 HydrophobicContact CG-CB 4.27Å; I140-D143 PolarHBondContact O-N 2.78Å; Q141-D143 VanDerWaalsContact C-N 3.32Å; Q141-D143 PolarHBondContact O-N 3.14Å; D143-E145 PolarHBondContact O-N 3.29Å; D143-K146 HydrophobicContact CB-CB 4.25Å; D143-K146 HydrophobicContact CB-CD 3.9Å; D143-K146 HydrophobicContact CB-CG 4.16Å; D143-K146 WeakPolarHBondContact O-CB 3.4Å; D143-K146 PolarHBondContact O-N 2.83Å; D143-K146 WeakPolarHBondContact OD1-CE 3.39Å; D143-K146 IonicContact OD1-NZ 3.33Å; D143-K146 PolarHBondContact OD1-NZ 3.32Å; D143-K146 IonicContact OD2-NZ 3.97Å; D143-K146 PolarHBondContact OD2-NZ 2.91Å
144A85.4Confident87.2Confident0 Ų061.3 Ų61.30%031%0.309CS..G310 helixtrans-49.6-45.9172.500000112.4M89 A90 V93 G139 N142 K146 A147 Y150M89-A144 HydrophobicContact CB-CB 3.83Å; A90-A144 HydrophobicContact CB-CB 4.5Å; V93-A144 HydrophobicContact CB-CB 4.43Å; V93-A144 HydrophobicContact CG2-CB 3.63Å; G139-A144 WeakPolarHBondContact O-CB 3.21Å; G139-A144 PolarHBondContact O-N 3.44Å; G139-A144 VanDerWaalsContact O-N 3.14Å; N142-A144 PolarHBondContact O-N 3.43Å; A144-K146 PolarHBondContact O-N 3.18Å; A144-K146 VanDerWaalsContact O-N 3.1Å; A144-A147 WeakPolarHBondContact O-CB 3.37Å; A144-A147 PolarHBondContact O-N 3.29Å; A144-Y150 HydrophobicContact CB-CE2 4.08Å; A144-Y150 WeakPolarHBondContact O-CD2 3.39Å
145E90.2Very high87.5Confident126 Ų12664.3 Ų64.359%0.58932%0.317SS*.G310 helixtrans-65.4-16.3-177.8-60.6-170.8110.400113.8I140 D143 A147 Y150I140-E145 HydrophobicContact CD1-CG 3.88Å; D143-E145 PolarHBondContact O-N 3.29Å; E145-A147 VanDerWaalsContact C-N 3.3Å; E145-Y150 HydrophobicContact CG-CE1 4.06Å
146K88.4Confident87.8Confident129 Ų12968.7 Ų68.756%0.56134%0.34SS*.G310 helixtrans-84.4-4.3176-61.1-173.8-172.8153.40112.8Q86 D143 A144Q86-K146 HydrophobicContact CG-CB 4.37Å; Q86-K146 VanDerWaalsContact NE2-CB 3.33Å; Q86-K146 PolarHBondContact OE1-O 2.9Å; D143-K146 HydrophobicContact CB-CB 4.25Å; D143-K146 HydrophobicContact CB-CD 3.9Å; D143-K146 HydrophobicContact CB-CG 4.16Å; D143-K146 WeakPolarHBondContact O-CB 3.4Å; D143-K146 PolarHBondContact O-N 2.83Å; D143-K146 WeakPolarHBondContact OD1-CE 3.39Å; D143-K146 IonicContact OD1-NZ 3.33Å; D143-K146 PolarHBondContact OD1-NZ 3.32Å; D143-K146 IonicContact OD2-NZ 3.97Å; D143-K146 PolarHBondContact OD2-NZ 2.91Å; A144-K146 PolarHBondContact O-N 3.18Å; A144-K146 VanDerWaalsContact O-N 3.1Å
147A86.9Confident88Confident7 Ų767.7 Ų67.76%0.05834%0.335CS..SBendtrans-59.4139.1178.900000111.5Q86 A90 A144 E145 F149 Y150Q86-A147 HydrophobicContact CB-CB 3.9Å; Q86-A147 WeakPolarHBondContact O-CB 3.49Å; A90-A147 HydrophobicContact CB-CB 3.77Å; A144-A147 WeakPolarHBondContact O-CB 3.37Å; A144-A147 PolarHBondContact O-N 3.29Å; E145-A147 VanDerWaalsContact C-N 3.3Å; A147-F149 PolarHBondContact O-N 2.98Å; A147-Y150 HydrophobicContact CB-CD2 4.45Å; A147-Y150 PolarHBondContact O-N 2.89Å
148P84.1Confident88.2Confident81 Ų8164.9 Ų64.953%0.52632%0.319SS..THydrogen-bonded Turntrans-59.2127172.726.3-33.2000108.8Y150P148-Y150 VanDerWaalsContact C-N 3.3Å; P148-Y150 PolarHBondContact O-N 2.95Å
149F88.6Confident88.6Confident165 Ų16567.1 Ų67.172%0.72433%0.333SS*.THydrogen-bonded Turntrans60.832.5-176.8-46.3-82000114.3A147 T151 L152 L153A147-F149 PolarHBondContact O-N 2.98Å; F149-T151 VanDerWaalsContact C-N 3.3Å; F149-T151 PolarHBondContact O-N 2.75Å; F149-T151 VanDerWaalsContact O-N 3.13Å; F149-L152 HydrophobicContact CB-CB 4.05Å; F149-L152 HydrophobicContact CB-CD2 4.38Å; F149-L152 WeakPolarHBondContact O-CA 3.43Å; F149-L152 WeakPolarHBondContact O-CB 3.19Å; F149-L152 PolarHBondContact O-N 3.34Å; F149-L153 PolarHBondContact O-N 2.9Å
150Y89.2Confident89Confident41 Ų4169 Ų6916%0.16135%0.352CS..Hα-helixtrans-39.3-54179.3174.5-109.7000114.1A90 V93 A144 E145 A147 P148 L152 L153 T154A90-Y150 HydrophobicContact CB-CD2 3.56Å; A90-Y150 HydrophobicContact CB-CE2 3.83Å; V93-Y150 WeakPolarHBondContact CG1-OH 3.37Å; A144-Y150 HydrophobicContact CB-CE2 4.08Å; A144-Y150 WeakPolarHBondContact O-CD2 3.39Å; E145-Y150 HydrophobicContact CG-CE1 4.06Å; A147-Y150 HydrophobicContact CB-CD2 4.45Å; A147-Y150 PolarHBondContact O-N 2.89Å; P148-Y150 VanDerWaalsContact C-N 3.3Å; P148-Y150 PolarHBondContact O-N 2.95Å; Y150-L152 VanDerWaalsContact C-N 3.33Å; Y150-L152 PolarHBondContact O-N 3.03Å; Y150-L153 PolarHBondContact O-N 3.26Å; Y150-T154 WeakPolarHBondContact O-CB 3.46Å; Y150-T154 PolarHBondContact O-N 3.23Å; Y150-T154 PolarHBondContact O-OG1 2.81Å
151T91.1Very high89Confident113 Ų11366.9 Ų66.969%0.69334%0.342SS*.Hα-helixtrans-61.9-39.2-179.7-48.80000112.6F149 W155F149-T151 VanDerWaalsContact C-N 3.3Å; F149-T151 PolarHBondContact O-N 2.75Å; F149-T151 VanDerWaalsContact O-N 3.13Å; T151-W155 VanDerWaalsContact O-CB 3.23Å; T151-W155 WeakPolarHBondContact O-CB 3.21Å; T151-W155 PolarHBondContact O-N 2.84Å
152L92.6Very high89Confident92 Ų9265 Ų6548%0.48233%0.332SS..Hα-helixtrans-70.9-43.6178.6178.763.2000111F149 Y150 W155 L156F149-L152 HydrophobicContact CB-CB 4.05Å; F149-L152 HydrophobicContact CB-CD2 4.38Å; F149-L152 WeakPolarHBondContact O-CA 3.43Å; F149-L152 WeakPolarHBondContact O-CB 3.19Å; F149-L152 PolarHBondContact O-N 3.34Å; Y150-L152 VanDerWaalsContact C-N 3.33Å; Y150-L152 PolarHBondContact O-N 3.03Å; L152-W155 HydrophobicContact CD1-CE3 4.18Å; L152-W155 PolarHBondContact O-N 3.45Å; L152-L156 HydrophobicContact CD1-CD1 4.33Å; L152-L156 HydrophobicContact CD1-CG 4.31Å; L152-L156 HydrophobicContact CG-CD1 4.1Å; L152-L156 HydrophobicContact CG-CG 4.49Å; L152-L156 WeakPolarHBondContact O-CB 3.48Å; L152-L156 VanDerWaalsContact O-CG 3.28Å; L152-L156 WeakPolarHBondContact O-CG 3.08Å; L152-L156 PolarHBondContact O-N 3.25Å
153L90.9Very high89.4Confident28 Ų2866.6 Ų66.615%0.14734%0.344CS..Hα-helixtrans-61.5-48.5176.9179.460.8000110.5T80 A87 A90 F149 Y150 W155 L156 V157T80-L153 HydrophobicContact CG2-CD1 4.19Å; A87-L153 HydrophobicContact CB-CD2 4.27Å; A90-L153 HydrophobicContact CB-CD2 3.82Å; F149-L153 PolarHBondContact O-N 2.9Å; Y150-L153 PolarHBondContact O-N 3.26Å; L153-W155 VanDerWaalsContact C-N 3.34Å; L153-W155 PolarHBondContact O-N 3Å; L153-L156 PolarHBondContact O-N 3.45Å; L153-V157 HydrophobicContact CD1-CG2 4.09Å; L153-V157 HydrophobicContact CG-CG2 4.47Å; L153-V157 WeakPolarHBondContact O-CB 3.27Å; L153-V157 VanDerWaalsContact O-CG2 3.29Å; L153-V157 WeakPolarHBondContact O-CG2 3.08Å; L153-V157 PolarHBondContact O-N 3.06Å
154T91.8Very high89.6Confident14 Ų1463.8 Ų63.89%0.08633%0.33CS..Hα-helixtrans-56.2-49.8176.5-580000110.9A94 Y150 L156 V157 Q158A94-T154 HydrophobicContact CB-CG2 3.83Å; Y150-T154 WeakPolarHBondContact O-CB 3.46Å; Y150-T154 PolarHBondContact O-N 3.23Å; Y150-T154 PolarHBondContact O-OG1 2.81Å; T154-L156 PolarHBondContact O-N 3.4Å; T154-V157 PolarHBondContact O-N 3.5Å; T154-Q158 HydrophobicContact CG2-CG 4.45Å; T154-Q158 WeakPolarHBondContact O-CB 3.22Å; T154-Q158 WeakPolarHBondContact O-CG 3.33Å; T154-Q158 PolarHBondContact O-N 3.38Å
155W93.3Very high89.5Confident146 Ų14664.7 Ų64.755%0.55333%0.334SS*.Hα-helixtrans-61.2-42.4178.2177.281.3000112.8T151 L152 L153 T159T151-W155 VanDerWaalsContact O-CB 3.23Å; T151-W155 WeakPolarHBondContact O-CB 3.21Å; T151-W155 PolarHBondContact O-N 2.84Å; L152-W155 HydrophobicContact CD1-CE3 4.18Å; L152-W155 PolarHBondContact O-N 3.45Å; L153-W155 VanDerWaalsContact C-N 3.34Å; L153-W155 PolarHBondContact O-N 3Å; W155-T159 WeakPolarHBondContact O-CB 3.46Å; W155-T159 PolarHBondContact O-N 3.22Å; W155-T159 PolarHBondContact O-OG1 2.87Å
156L93Very high89.3Confident93 Ų9365.5 Ų65.549%0.48733%0.332SS..Hα-helixtrans-63.4-46.8177.7-78.9172000111.7L152 L153 T154 T159 G160L152-L156 HydrophobicContact CD1-CD1 4.33Å; L152-L156 HydrophobicContact CD1-CG 4.31Å; L152-L156 HydrophobicContact CG-CD1 4.1Å; L152-L156 HydrophobicContact CG-CG 4.49Å; L152-L156 WeakPolarHBondContact O-CB 3.48Å; L152-L156 VanDerWaalsContact O-CG 3.28Å; L152-L156 WeakPolarHBondContact O-CG 3.08Å; L152-L156 PolarHBondContact O-N 3.25Å; L153-L156 PolarHBondContact O-N 3.45Å; T154-L156 PolarHBondContact O-N 3.4Å; L156-T159 PolarHBondContact O-N 2.74Å; L156-G160 PolarHBondContact O-N 3.48Å
157V90.4Very high89.3Confident7 Ų762.5 Ų62.54%0.04232%0.322CS..Hα-helixtrans-62.3-51.4178.8171.40000110.1L76 A94 V95 L153 T154 T159 G160 C161L76-V157 HydrophobicContact CD1-CG2 4.13Å; L76-V157 HydrophobicContact CD2-CG1 4.24Å; L76-V157 HydrophobicContact CD2-CG2 4.13Å; A94-V157 HydrophobicContact CB-CB 3.91Å; A94-V157 HydrophobicContact CB-CG1 3.78Å; V95-V157 HydrophobicContact CG2-CG1 3.57Å; L153-V157 HydrophobicContact CD1-CG2 4.09Å; L153-V157 HydrophobicContact CG-CG2 4.47Å; L153-V157 WeakPolarHBondContact O-CB 3.27Å; L153-V157 VanDerWaalsContact O-CG2 3.29Å; L153-V157 WeakPolarHBondContact O-CG2 3.08Å; L153-V157 PolarHBondContact O-N 3.06Å; T154-V157 PolarHBondContact O-N 3.5Å; V157-T159 PolarHBondContact O-N 3.11Å; V157-G160 PolarHBondContact O-N 3.24Å; V157-C161 WeakPolarHBondContact O-CB 3.46Å; V157-C161 PolarHBondContact O-N 3.41Å; V157-C161 PolarHBondContact O-SG 2.9Å
158Q91.3Very high89.2Confident31 Ų3162.3 Ų62.315%0.14532%0.32CS..Hα-helixtrans-61.7-42.5179.2-72.4-179.3-15.600112.4A94 E97 L98 T154 K162A94-Q158 HydrophobicContact CB-CG 4.35Å; A94-Q158 WeakPolarHBondContact O-CG 3.48Å; E97-Q158 PolarHBondContact OE2-NE2 3.12Å; L98-Q158 HydrophobicContact CD1-CB 4.33Å; L98-Q158 HydrophobicContact CD1-CG 4.47Å; T154-Q158 HydrophobicContact CG2-CG 4.45Å; T154-Q158 WeakPolarHBondContact O-CB 3.22Å; T154-Q158 WeakPolarHBondContact O-CG 3.33Å; T154-Q158 PolarHBondContact O-N 3.38Å; Q158-K162 WeakPolarHBondContact O-CB 3.29Å; Q158-K162 VanDerWaalsContact O-CG 3.22Å; Q158-K162 WeakPolarHBondContact O-CG 3.38Å; Q158-K162 PolarHBondContact O-N 3.43Å
159T92.9Very high89Confident51 Ų5163.4 Ų63.431%0.31332%0.318SS..Hα-helixtrans-66.6-40.4178.1-60.40000111W155 L156 V157 S163W155-T159 WeakPolarHBondContact O-CB 3.46Å; W155-T159 PolarHBondContact O-N 3.22Å; W155-T159 PolarHBondContact O-OG1 2.87Å; L156-T159 PolarHBondContact O-N 2.74Å; V157-T159 PolarHBondContact O-N 3.11Å; T159-S163 WeakPolarHBondContact O-CB 3.16Å; T159-S163 PolarHBondContact O-N 3.13Å; T159-S163 PolarHBondContact O-OG 2.71Å
160G90.4Very high88.6Confident40 Ų4062.4 Ų62.441%0.41231%0.309SS..Hα-helixtrans-61.8-51.4176.200000112L156 V157 S163 A164L156-G160 PolarHBondContact O-N 3.48Å; V157-G160 PolarHBondContact O-N 3.24Å; G160-S163 PolarHBondContact O-N 2.92Å; G160-A164 WeakPolarHBondContact O-CB 3.32Å; G160-A164 PolarHBondContact O-N 2.91Å
161C86.5Confident88Confident8 Ų865.4 Ų65.45%0.05433%0.332CS..Hα-helixtrans-60.7-48.1176.2-70.60000111.9L98 V157 S163 A164 I165L98-C161 HydrophobicContact CD1-CB 3.55Å; L98-C161 HydrophobicContact CD2-CB 3.98Å; L98-C161 HydrophobicContact CG-CB 4.43Å; V157-C161 WeakPolarHBondContact O-CB 3.46Å; V157-C161 PolarHBondContact O-N 3.41Å; V157-C161 PolarHBondContact O-SG 2.9Å; C161-S163 VanDerWaalsContact C-N 3.27Å; C161-S163 PolarHBondContact O-N 2.67Å; C161-A164 PolarHBondContact O-N 2.97Å; C161-I165 VanDerWaalsContact O-CG1 3.3Å; C161-I165 WeakPolarHBondContact O-CG1 3.17Å; C161-I165 PolarHBondContact O-N 3.25Å
162K87.5Confident87.8Confident106 Ų10663 Ų6346%0.46131%0.314SS..Hα-helixtrans-59.4-39.2176.7-73.5177.3-176179.60112.3L98 Q158 W166L98-K162 HydrophobicContact CD1-CD 4.42Å; L98-K162 HydrophobicContact CD1-CG 3.71Å; Q158-K162 WeakPolarHBondContact O-CB 3.29Å; Q158-K162 VanDerWaalsContact O-CG 3.22Å; Q158-K162 WeakPolarHBondContact O-CG 3.38Å; Q158-K162 PolarHBondContact O-N 3.43Å; K162-W166 WeakPolarHBondContact O-CB 3.49Å; K162-W166 PolarHBondContact O-N 3.44Å
163S89.6Confident87.6Confident56 Ų5661.5 Ų61.539%0.39231%0.305SS..Hα-helixtrans-69.6-41.4177.4-62.70000111.4T159 G160 C161 I165 W166 I167T159-S163 WeakPolarHBondContact O-CB 3.16Å; T159-S163 PolarHBondContact O-N 3.13Å; T159-S163 PolarHBondContact O-OG 2.71Å; G160-S163 PolarHBondContact O-N 2.92Å; C161-S163 VanDerWaalsContact C-N 3.27Å; C161-S163 PolarHBondContact O-N 2.67Å; S163-I165 VanDerWaalsContact C-N 3.35Å; S163-I165 PolarHBondContact O-N 3.04Å; S163-W166 PolarHBondContact O-N 3.13Å; S163-I167 WeakPolarHBondContact O-CB 3.23Å; S163-I167 WeakPolarHBondContact O-CG1 3.45Å; S163-I167 PolarHBondContact O-N 2.85Å
164A87.4Confident87.4Confident5 Ų563.3 Ų63.34%0.04131%0.313CS..Hα-helixtrans-61.2-43.4175.700000111.7I8 W69 G160 C161 I167 S168I8-A164 HydrophobicContact CD1-CB 4.28Å; I8-A164 HydrophobicContact CG2-CB 4.02Å; W69-A164 HydrophobicContact CD2-CB 3.91Å; W69-A164 HydrophobicContact CE3-CB 3.73Å; W69-A164 HydrophobicContact CH2-CB 3.79Å; W69-A164 HydrophobicContact CZ2-CB 3.93Å; W69-A164 HydrophobicContact CZ3-CB 3.68Å; G160-A164 WeakPolarHBondContact O-CB 3.32Å; G160-A164 PolarHBondContact O-N 2.91Å; C161-A164 PolarHBondContact O-N 2.97Å; A164-I167 PolarHBondContact O-N 2.68Å; A164-S168 VanDerWaalsContact O-CB 3.32Å; A164-S168 WeakPolarHBondContact O-CB 3.28Å; A164-S168 PolarHBondContact O-N 3.1Å; A164-S168 PolarHBondContact O-OG 3.38Å
165I82.8Confident87.1Confident19 Ų1966.2 Ų66.210%0.09733%0.327CS..Hα-helixtrans-58.7-55.5172.9-68.1167.1000110.1D5 L98 C161 S163 I167 S168 E169D5-I165 HydrophobicContact CB-CD1 4.36Å; D5-I165 HydrophobicContact CB-CG1 4.09Å; D5-I165 HydrophobicContact CB-CG2 3.77Å; D5-I165 WeakPolarHBondContact O-CG1 3.45Å; L98-I165 HydrophobicContact CD2-CD1 4.07Å; C161-I165 VanDerWaalsContact O-CG1 3.3Å; C161-I165 WeakPolarHBondContact O-CG1 3.17Å; C161-I165 PolarHBondContact O-N 3.25Å; S163-I165 VanDerWaalsContact C-N 3.35Å; S163-I165 PolarHBondContact O-N 3.04Å; I165-I167 VanDerWaalsContact C-N 3.26Å; I165-I167 PolarHBondContact O-N 3.4Å; I165-S168 WeakPolarHBondContact O-CB 3.44Å; I165-S168 PolarHBondContact O-N 3.18Å; I165-E169 HydrophobicContact CG2-CG 4.42Å; I165-E169 WeakPolarHBondContact O-CG 3.37Å; I165-E169 PolarHBondContact O-N 2.98Å
166W86.4Confident86.7Confident144 Ų14461.3 Ų61.355%0.54531%0.313SS..Hα-helixtrans-57.6-36.2-178.3-18096.2000113.8K162 S163 R170K162-W166 WeakPolarHBondContact O-CB 3.49Å; K162-W166 PolarHBondContact O-N 3.44Å; S163-W166 PolarHBondContact O-N 3.13Å; W166-R170 VanDerWaalsContact NE1-NH1 3.14Å; W166-R170 PolarHBondContact O-NH1 2.88Å
167I88.1Confident86.3Confident66 Ų6659.1 Ų59.134%0.33830%0.301SS..Hα-helixtrans-70.7-42.8175.3-66.9169.7000110L65 W69 S163 A164 I165 R170 V171L65-I167 HydrophobicContact CD1-CG2 3.51Å; W69-I167 HydrophobicContact CH2-CD1 4.24Å; W69-I167 HydrophobicContact CZ2-CB 4.21Å; W69-I167 HydrophobicContact CZ2-CG2 4.15Å; S163-I167 WeakPolarHBondContact O-CB 3.23Å; S163-I167 WeakPolarHBondContact O-CG1 3.45Å; S163-I167 PolarHBondContact O-N 2.85Å; A164-I167 PolarHBondContact O-N 2.68Å; I165-I167 VanDerWaalsContact C-N 3.26Å; I165-I167 PolarHBondContact O-N 3.4Å; I167-R170 WeakPolarHBondContact O-CB 3.43Å; I167-R170 PolarHBondContact O-N 2.86Å; I167-R170 VanDerWaalsContact O-N 3.13Å; I167-V171 PolarHBondContact O-N 3.4Å
168S84.5Confident86Confident2 Ų262.9 Ų62.91%0.01432%0.32CS..Hα-helixtrans-67.7-35.8-177.3-59.10000113.1I8 W69 A164 I165 R170 V171I8-S168 WeakPolarHBondContact CD1-OG 3.38Å; W69-S168 PolarHBondContact NE1-OG 3.32Å; A164-S168 VanDerWaalsContact O-CB 3.32Å; A164-S168 WeakPolarHBondContact O-CB 3.28Å; A164-S168 PolarHBondContact O-N 3.1Å; A164-S168 PolarHBondContact O-OG 3.38Å; I165-S168 WeakPolarHBondContact O-CB 3.44Å; I165-S168 PolarHBondContact O-N 3.18Å; S168-R170 PolarHBondContact O-N 2.88Å; S168-R170 VanDerWaalsContact O-N 3.12Å; S168-V171 PolarHBondContact O-N 2.87Å
169E80Confident85.6Confident105 Ų10565.3 Ų65.349%0.49133%0.333SS..THydrogen-bonded Turntrans-61.2-19.3173.3-69.8176.4150.700113.1I165I165-E169 HydrophobicContact CG2-CG 4.42Å; I165-E169 WeakPolarHBondContact O-CG 3.37Å; I165-E169 PolarHBondContact O-N 2.98Å
170R81.1Confident85Confident143 Ų14366.5 Ų66.554%0.5434%0.335SS..THydrogen-bonded Turntrans-99.4-8.3-178.6-71.5167.6170.764.78.2113.7W166 I167 S168W166-R170 VanDerWaalsContact NE1-NH1 3.14Å; W166-R170 PolarHBondContact O-NH1 2.88Å; I167-R170 WeakPolarHBondContact O-CB 3.43Å; I167-R170 PolarHBondContact O-N 2.86Å; I167-R170 VanDerWaalsContact O-N 3.13Å; S168-R170 PolarHBondContact O-N 2.88Å; S168-R170 VanDerWaalsContact O-N 3.12Å
171V76.2Confident84.5Confident104 Ų10468.9 Ų68.963%0.6333%0.328SS*.  trans-128.90-173.1-178.60000111T63 A64 L65 I167 S168T63-V171 WeakPolarHBondContact CB-OXT 3.17Å; T63-V171 PolarHBondContact OG1-OXT 3.37Å; A64-V171 HydrophobicContact CB-CG1 4.35Å; L65-V171 HydrophobicContact CD1-CB 4.09Å; L65-V171 HydrophobicContact CD1-CG1 4.26Å; L65-V171 HydrophobicContact CD1-CG2 4.17Å; L65-V171 HydrophobicContact CG-CB 4.38Å; L65-V171 HydrophobicContact CG-CG1 4.06Å; I167-V171 PolarHBondContact O-N 3.4Å; S168-V171 PolarHBondContact O-N 2.87Å

Retrieved 171 of 171 residues in 191.9 ms (Link to these results)

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